SCHEMBL11500366

SCHEMBL11500366

C#CC(CC=C)(C(=O)O)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ACP3 P15309 2/20 0.40
▸ HTT P42858 1/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ HPGD P15428 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ NR4A1 P22736 1/20 0.37
▸ NR4A2 P43354 1/20 0.37
▸ NR4A3 Q92570 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CASP1 P29466 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
SCHEMBL11500658 0.78 ALDH1A1 (0.44) ALDH1A1TSHRACP3HTTKIF11
SCHEMBL2255536 0.78 CYP1A2 (0.42) ALDH1A1ACP3KIF11TDP1KDM4E
SCHEMBL11500364 0.76 ALDH1A1 (0.45) ALDH1A1TSHRHTTKIF11TDP1
SCHEMBL2256427 0.76 CYP1A2 (0.40) ACP3KIF11TDP1KDM4EHPGD
SCHEMBL2262251 0.76 CYP1A2 (0.40) ACP3KIF11TDP1KDM4EHPGD
SCHEMBL11664660 0.75 ALDH1A1 (0.51) ALDH1A1TSHRACP3HTTKIF11
SCHEMBL2386695 0.73 KMT2A (0.39) ALDH1A1TSHRACP3HTTKIF11
SCHEMBL15242490 0.71 MAPT (0.45) ALDH1A1TSHRACP3KDM4EHSD17B10
SCHEMBL21246109 0.69 ALDH1A1 (0.36) ALDH1A1TSHRACP3HTTKIF11
SCHEMBL15302190 0.67 KMT2A (0.33) ALDH1A1TSHRACP3KIF11TDP1

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 7 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-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
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