SCHEMBL9505745

SCHEMBL9505745

CC(c1ccccc1)C(Cc1ccccc1)c1ccc(O)c(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HNF4A P41235 2/20 0.49
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ HPGD P15428 4/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ GRM1 Q13255 1/20 0.46
▸ ACMSD Q8TDX5 5/20 0.45
▸ KLKB1 P03952 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ DNMT1 P26358 1/20 0.43
▸ DNMT3B Q9UBC3 1/20 0.43
▸ DNMT3L Q9UJW3 1/20 0.43
▸ DNMT3A Q9Y6K1 1/20 0.43
▸ MCL1 Q07820 4/20 0.42

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
SCHEMBL9453507 0.99 HNF4A (0.48) HNF4AKDM4EALDH1A1HPGDHSD17B10
Zinc Ion SCHEMBL9453505 0.88 KDM4E (0.39) HNF4AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9769812 0.83 HNF4A (0.54) HNF4AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL658651 0.76 KDM4E (0.56) HNF4AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1373696 0.76 KDM4E (0.56) HNF4AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9160643 0.76 HNF4A (0.64) HNF4AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9747206 0.75 TAAR1 (0.50) CYP2D6ADRB2ADRB1ADRA1AHTR1A
SCHEMBL5964731 0.75 KDM4E (0.54) HNF4AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1129944 0.73 KDM4E (0.49) HNF4AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL25017789 0.73 KDM4E (0.59) HNF4AKDM4EALDH1A1HPGDHSD17B10

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
EP-0322091-B1 PROCESS FOR PREPARING ZINC SALT OF SALICYCLIC ACID COMPOUND Fuji Photo Film Co., Ltd. (JP) 1993-08-11 — — EP disclosed
US-4914219-A Process for preparing zinc salt of salicylic acid compound FUJI PHOTO FILM CO., LTD. (JP) 1990-04-03 — — US disclosed
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