SCHEMBL11470643

SCHEMBL11470643

CCc1ccc2c(O)c(CC(=O)OC)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.43
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.41
GFER P55789 1/20 0.41
KDM4E B2RXH2 3/20 0.41
GLA P06280 2/20 0.41
HSP90AB1 P08238 1/20 0.41
HPGD P15428 3/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40

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
SCHEMBL11469708 0.85 SLC2A1 (0.42) ALDH1A1GAAGFERKDM4EGLA
SCHEMBL11466569 0.85 HPGD (0.39) ALDH1A1GAAGFERKDM4EGLA
SCHEMBL11460913 0.84 ALDH1A1 (0.53) LCKALDH1A1GAAGFERKDM4E
SCHEMBL3949360 0.83 CYP1A2 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11459209 0.83 ALDH1A1 (0.44) LCKALDH1A1GAAGFERKDM4E
SCHEMBL11459413 0.82 ALDH1A1 (0.42) LCKALDH1A1GAAKDM4EGLA
SCHEMBL11463686 0.82 TUBB4A (0.55) ALDH1A1KDM4EHPGDTUBB4ATUBB
SCHEMBL11470610 0.82 ALDH1A1 (0.42) LCKALDH1A1GAAGFERKDM4E
SCHEMBL11462801 0.81 ALDH1A1 (0.41) LCKALDH1A1GAAGFERKDM4E
SCHEMBL29284732 0.79 GAA (0.51) ALDH1A1GAAGFERKDM4EGLA

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