SCHEMBL11500658

SCHEMBL11500658

C=CCC(C=C)(C(=O)O)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ACP3 P15309 2/20 0.40
▸ HTT P42858 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NR4A1 P22736 1/20 0.38
▸ NR4A2 P43354 1/20 0.38
▸ NR4A3 Q92570 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ PTPN1 P18031 1/20 0.34

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
SCHEMBL11500366 0.78 ALDH1A1 (0.43) ALDH1A1TSHRACP3HTTKIF11
SCHEMBL11664660 0.76 ALDH1A1 (0.51) ALDH1A1TSHRACP3HTTKIF11
SCHEMBL2386695 0.74 KMT2A (0.39) ALDH1A1TSHRACP3HTTKIF11
SCHEMBL11500655 0.73 ALDH1A1 (0.47) ALDH1A1TSHRHTTKIF11TDP1
SCHEMBL15242490 0.72 MAPT (0.45) ALDH1A1TSHRACP3KDM4EMEN1
SCHEMBL11407194 0.71 ACP3 (0.43) ALDH1A1ACP3KIF11TDP1KDM4E
SCHEMBL21246109 0.70 ALDH1A1 (0.36) ALDH1A1TSHRACP3HTTKIF11
SCHEMBL11792139 0.69 CYP1A2 (0.40) ALDH1A1TSHRACP3KIF11TDP1
SCHEMBL15302190 0.68 KMT2A (0.33) ALDH1A1TSHRACP3KIF11TDP1
SCHEMBL4592424 0.67 KDM4E (0.53) ALDH1A1ACP3KIF11TDP1KDM4E

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-3978124-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 — — US disclosed
US-3978116-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 — — US disclosed
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