SCHEMBL11468480

SCHEMBL11468480

COCSc1ccc2c(c1)C=C(CC(=O)OC)CC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 2/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 2/20 0.32
GFER P55789 1/20 0.32
MCHR1 Q99705 1/20 0.31
HSP90AB1 P08238 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7305935 0.78 MTNR1A (0.43) KDM4EMAPTALDH1A1MCHR1HPGD
SCHEMBL11459008 0.76 CFTR (0.39) KDM4EMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL11467625 0.76 MCHR1 (0.39) GAAKDM4EALDH1A1GFERMCHR1
SCHEMBL8092415 0.71 BRD4 (0.39) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL8096734 0.71 PPARG (0.42) GAAKDM4EMAPTCYP1A2CYP3A4
SCHEMBL2646823 0.70 CYP4F2 (0.54) GAAKDM4EMAPTALDH1A1GFER
SCHEMBL8092437 0.69 ADRA2A (0.43) MAPTCYP1A2CYP2C9CYP2C19HPGD
SCHEMBL11471205 0.69 HTR2C (0.35) GAAALDH1A1GFERMCHR1HSP90AB1
SCHEMBL11467650 0.68 LMNA (0.37) GAAMAPTALDH1A1MCHR1SMN1; SMN2
SCHEMBL7301801 0.68 PLAU (0.48) MAPTALDH1A1MCHR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4207241-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS AND ANTIPRURITIC AGENTS SYNTEX CORPORATION (US) 1980-06-10 US disclosed
US-4097674-A ANTIINFLAMMATORY, ANTIPYRETIC, ANTIPRURITIC AGENTS, ANALGESICS SYNTEX CORPORATION (US) 1978-06-27 US disclosed
US-4051233-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1977-09-27 US disclosed
US-4001301-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTI-PRURITIC SYNTEX CORPORATION (PM) 1977-01-04 US disclosed
US-3998966-A Anti-inflammatory, analgesic, anti-pyretic and anti-pruritic 6-substituted 2-naphthyl acetic acid derivative-containing compositions and methods of use thereof SYNTEX CORPORATION (PM) 1976-12-21 US disclosed
US-3980699-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-09-14 US disclosed
US-3978116-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed
US-3978124-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed