SCHEMBL7984628

SCHEMBL7984628

CCC(OS(C)(=O)=O)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
SCN1A P35498 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
MC4R P32245 2/20 0.39
PSIP1 O75475 1/20 0.38
CYP3A4 P08684 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
TDP1 Q9NUW8 1/20 0.33
CYP24A1 Q07973 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6620603 0.80 HTT (0.36) IDO1TDO2CYP3A4CA1CA2
SCHEMBL18002093 0.80 SLC6A4 (0.39) MC4RCYP3A4KMT2AMEN1CYP24A1
SCHEMBL6258207 0.77 MC4R (0.40) IDO1TDO2SCN1ASCN5ASCN8A
SCHEMBL1330500 0.76 MEN1 (0.41) IDO1TDO2MC4RCYP3A4KMT2A
SCHEMBL28873412 0.76 MC4R (0.40) IDO1TDO2MC4RPSIP1CYP3A4
SCHEMBL8126233 0.75 LMNA (0.41) PSIP1CYP3A4KMT2AMEN1CYP24A1
SCHEMBL5136358 0.75 CYP2C19 (0.38) CYP3A4KMT2ACYP24A1ALDH1A1CYP2C9
SCHEMBL1789699 0.75 CES2 (0.41) IDO1TDO2MC4RCYP3A4KMT2A
SCHEMBL991557 0.74 TSHR (0.33) CA1CA2CYP24A1ALDH1A1L3MBTL1
SCHEMBL11550265 0.72 MC4R (0.42) MC4RKMT2AMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed
EP-0643688-A1 SUBSTITUTED (ARYLALKOXYBENZYL)AMINOPROPANAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1995-03-22 EP disclosed
WO-1994022808-A1 SUBSTITUTED (ARYLALKOXYBENZYL)AMINOPROPANAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS FARMITALIA CARLO ERBA SRL (IT) 1994-10-13 WO disclosed