SCHEMBL2945289

SCHEMBL2945289

CCCCCCCCCCON(Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CETP P11597 3/20 0.47
CYP3A4 P08684 2/20 0.45
TP53 P04637 2/20 0.45
MAPK1 P28482 1/20 0.45
EPHX2 P34913 1/20 0.44
CNR2 P34972 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
NR1I2 O75469 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43
MAPT P10636 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL5095070 0.80 KCNH2 (0.44) TSHRLMNAALDH1A1CETPTP53
SCHEMBL12802951 0.79 CYP1A2 (0.55) ALDH1A1CYP3A4
SCHEMBL12802835 0.79 CYP1A2 (0.55) ALDH1A1CYP3A4
SCHEMBL12802444 0.79 CYP1A2 (0.55) ALDH1A1CYP3A4
SCHEMBL12802675 0.79 CYP1A2 (0.55) ALDH1A1CYP3A4
SCHEMBL9836712 0.79 BCHE (0.49) TSHRLMNACETPMAPK1EPHX2
SCHEMBL27363608 0.79 TSHR (0.43) TSHRLMNAALDH1A1CETPCYP3A4
SCHEMBL8366080 0.79 ALDH1A1 (0.44) TSHRLMNAALDH1A1CETPTP53
SCHEMBL2368925 0.79 ALDH1A1 (0.44) TSHRLMNAALDH1A1CETPTP53
SCHEMBL10770087 0.78 LTA4H (0.44) TSHRLMNAALDH1A1CYP3A4TP53

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114146056-A Modular compositions for scavenging soluble biomolecules and methods related thereto 纳米提克斯有限责任公司 2022-03-08 CN disclosed
CN-113993519-A Degradation agent for cyclin dependent kinase 12(CDK12) and use thereof 达纳-法伯癌症研究公司 2022-01-28 CN disclosed
EP-3898613-A1 ANTICANCER COMPOUNDS Pharma Mar S.A. (ES) 2021-10-27 EP disclosed
CN-111825733-A Macrolides and methods of making and using the same 哈佛大学的校长及成员们 2020-10-27 CN disclosed
WO-2020127194-A1 ANTICANCER COMPOUNDS PHARMA MAR, S.A. (ES) 2020-06-25 WO disclosed
WO-2014170295-A1 COMPOUNDS POTENTIATING THE ACTIVITY OF ANTIFUNGAL DRUGS FUNDACIÓN MEDINA. CENTRO DE EXCELENCIA EN INVESTIGACIÓN DE MEDICAMENTOS INNOVADORES EN ANDALUCÍA (ES) 2014-10-23 WO disclosed
WO-2010149688-A2 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2010-12-29 WO disclosed
EP-2231695-A1 ANTITUMORAL COMPOUNDS Pharma Mar S.A. (ES) 2010-09-29 EP disclosed
WO-2009077401-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2009-06-25 WO disclosed