SCHEMBL7945045

SCHEMBL7945045

CCC(Cl)(CCCl)C(=O)OOc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PPARA Q07869 2/20 0.33
FDPS P14324 1/20 0.33
RIPK1 Q13546 1/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
ATM Q13315 1/20 0.33
PIN1 Q13526 1/20 0.33
ALOX15 P16050 1/20 0.33
RGS12 O14924 1/20 0.32

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
SCHEMBL644718 0.76 RIPK1 (0.44) L3MBTL1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL27275827 0.75 L3MBTL1 (0.42) L3MBTL1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL10636074 0.74 ZDHHC2 (0.42) MAOA
SCHEMBL1960388 0.71 ELANE (0.49) L3MBTL1KMT2AMEN1RAB9AATM
SCHEMBL8640706 0.71 ALDH1A1 (0.40) L3MBTL1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL10404454 0.71 LMNA (0.49) L3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL27313972 0.68 PIN1 (0.43) KMT2ASMN1; SMN2MEN1CYP1A2CYP3A4
SCHEMBL905941 0.68 ELANE (0.49) L3MBTL1KMT2ASMN1; SMN2GAAMAPT
SCHEMBL9486142 0.67 ELANE (0.45) L3MBTL1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL8467275 0.66 ELANE (0.47) L3MBTL1KMT2ASMN1; SMN2MEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187715-B1 HEAVY AROMATIC PETROLEUM DISTILLATE BOILING ABOVE 100 F; ALKYLLACTAM; ALKYLATED CASTOR OIL, TRISTYRYL PHENOL ETHOXYLATE OR A MIXTURE THEREOF ISP INVESTMENTS INC. 2001-02-13 US claimed
WO-2001060161-A1 WATER-BASED MICROEMULSIONS OF A LOWER ALKYL ESTER OF QUINOXALINYL HERBICIDE ISP INVESTMENTS INC. (US) 2001-08-23 WO disclosed
US-6187715-B1 HEAVY AROMATIC PETROLEUM DISTILLATE BOILING ABOVE 100 F; ALKYLLACTAM; ALKYLATED CASTOR OIL, TRISTYRYL PHENOL ETHOXYLATE OR A MIXTURE THEREOF ISP INVESTMENTS INC. 2001-02-13 US disclosed