SCHEMBL262674

SCHEMBL262674

CCc1cc(C(=O)O)cc(C)c1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MRGPRX4 Q96LA9 6/20 0.52
RXRA P19793 2/20 0.51
RXRB P28702 2/20 0.51
RXRG P48443 1/20 0.51
NR4A2 P43354 2/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
PTGER1 P34995 1/20 0.49
PTGER4 P35408 1/20 0.49
PTGER3 P43115 1/20 0.49
PTGER2 P43116 1/20 0.49
GLRA1 P23415 1/20 0.47
PTPN1 P18031 1/20 0.47
SRD5A2 P31213 1/20 0.47
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL262646 0.91 MEN1 (0.63) MEN1KMT2AMRGPRX4RXRARXRB
Hydrochloric Acid SCHEMBL16143479 0.89 MEN1 (0.61) MEN1KMT2AMRGPRX4RXRARXRB
SCHEMBL261974 0.88 MAPT (0.50) MEN1KMT2AMRGPRX4RXRARXRB
SCHEMBL1174899 0.86 LMNA (0.49) MEN1KMT2AMRGPRX4RXRARXRB
SCHEMBL15369572 0.85 RXRA (0.58) MEN1KMT2AMRGPRX4RXRARXRB
SCHEMBL3092429 0.85 LMNA (0.45) MEN1KMT2AMRGPRX4RXRARXRB
SCHEMBL7637040 0.85 LMNA (0.49) MEN1KMT2AMRGPRX4RXRARXRB
SCHEMBL16351377 0.84 MRGPRX4 (0.68) MEN1KMT2AMRGPRX4RXRARXRB
SCHEMBL7629161 0.81 LMNA (0.47) MEN1KMT2AMRGPRX4RXRARXRB
SCHEMBL2086179 0.81 PTGER4 (0.45) MEN1KMT2AMRGPRX4RXRARXRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103313981-B 2-methoxyl group-pyridin-4-yl derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-05-11 CN disclosed
EP-1976512-B1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-09-30 EP disclosed
EP-1976512-B1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-09-30 EP disclosed
US-9133179-B2 2-methoxy-pyridin-4-yl-derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2015-09-15 US disclosed
EP-2665720-B1 2-METHOXY-PYRIDIN-4-YL DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-10 EP disclosed
CN-102471328-B Pyridin-4-yl derivatives ACTELION PHARMACEUTICALS LTD 2015-04-01 CN disclosed
CN-102015695-B Pyridin-2-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD 2014-08-27 CN disclosed
CN-102007107-B Novel aminomethyl benzene derivatives ACTELION PHARMACEUTICALS LTD 2014-07-23 CN disclosed
US-8658675-B2 Pyridin-4-yl derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-02-25 US disclosed
EP-2125797-B1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-01-15 EP disclosed
EP-2069322-A2 THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
EP-2069336-A1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
WO-2009057079-A2 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-05-07 WO disclosed
EP-1976512-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2008-10-08 EP disclosed
WO-2008114157-A1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-09-25 WO disclosed
WO-2008035239-A1 PHENYL DERIVATIVES AND THEIR USE AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-27 WO disclosed
WO-2008029306-A2 THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO disclosed
WO-2008029371-A1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO disclosed
WO-2007080542-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-07-19 WO disclosed
WO-2007080542-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-07-19 WO disclosed