SCHEMBL11621083

SCHEMBL11621083

Cc1ccc(-c2coc3c(C(=O)O)cccc23)cc1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ PSMD14 O00487 1/20 0.39
▸ ACMSD Q8TDX5 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ GALR3 O60755 2/20 0.38
▸ CAMKK2 Q96RR4 2/20 0.38
▸ NR2F2 P24468 1/20 0.38
▸ MYC P01106 1/20 0.38
▸ CYSLTR1 Q9Y271 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ FABP4 P15090 1/20 0.37
▸ MPL P40238 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL10547068 0.81 HNF4A (0.50) ALDH1A1PSMD14DHODHGALR3NR2F2
SCHEMBL11619785 0.80 ALOX15 (0.51) MCL1ALDH1A1PSMD14DHODHTP53
SCHEMBL11623441 0.79 GPR35 (0.44) ALDH1A1CYP1A2PSMD14DHODHKDM4E
SCHEMBL11621112 0.78 PSMD14 (0.56) ALDH1A1CYP1A2PSMD14GALR3CYSLTR1
SCHEMBL269897 0.75 MCL1 (0.57) MCL1ALDH1A1CYP1A2ACMSDCAMKK2
SCHEMBL11624494 0.74 ALDH1A1 (0.37) ALDH1A1CYP1A2KDM4EHPGDHSD17B10
SCHEMBL31556208 0.74 MAOB (0.45) MCL1ALDH1A1MYCKDM4EHPGD
SCHEMBL7052889 0.74 MAOB (0.45) MCL1ALDH1A1MYCKDM4EHPGD
SCHEMBL8876175 0.71 ALOX15 (0.58) ALDH1A1DHODHKDM4EHPGDHSD17B10
SCHEMBL24183987 0.71 MCL1 (0.61) MCL1ALDH1A1CYP1A2CAMKK2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4124603-A ANTIMICROBIAL RIKER LABORATORIES, INC. (US) 1978-11-07 — — US disclosed
US-4067993-A Antimicrobial 2-nitro-3-phenylbenzofurancarboxylic acids RIKER LABORATORIES, INC. (US) 1978-01-10 — — US disclosed
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