SCHEMBL9505574

SCHEMBL9505574

CC(C)Oc1ccc2ccc(C(=O)O)c(O)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
LDHA P00338 1/20 0.51
MCL1 Q07820 3/20 0.49
KMT2A Q03164 2/20 0.49
BCL2L1 Q07817 1/20 0.45
KDM4E B2RXH2 3/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
PARP10 Q53GL7 1/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP2C9 P11712 1/20 0.39
PTGER1 P34995 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
PTGDR Q13258 1/20 0.39
POLB P06746 2/20 0.39
PSEN1 P49768 1/20 0.38

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
SCHEMBL9177974 0.84 ALDH1A1 (0.63) ALDH1A1MCL1KMT2AKDM4ERXRA
SCHEMBL9501872 0.84 KDM4E (0.55) ALDH1A1LDHAKDM4EHPGDHSD17B10
SCHEMBL539134 0.78 ALDH1A1 (0.73) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL29875598 0.78 ALDH1A1 (0.73) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL4081642 0.78 ALDH1A1 (1.00) ALDH1A1MCL1KMT2AKDM4ERXRA
SCHEMBL9179944 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL11556630 0.78 LDHA (0.54) ALDH1A1LDHAMCL1KMT2AKDM4E
SCHEMBL28054675 0.77 ALDH1A1 (0.53) ALDH1A1MCL1KMT2ABCL2L1KDM4E
SCHEMBL17908039 0.75 ALDH1A1 (0.73) ALDH1A1MCL1KMT2AKDM4ERXRA
SCHEMBL9856341 0.75 LDHA (0.59) ALDH1A1LDHAMCL1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279466-B1 NOVEL NAPHTHALENE DERIVATIVES AND ANTIALLERGY AND ANTI-INFLAMMATORY PHARMACEUTICALS WARNER-LAMBERT COMPANY (US) 1993-05-19 EP disclosed
US-4767776-A N-1H-tetrazol-5-yl-2-naphthalene carboxamides and their use as antiallergy and antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1988-08-30 US disclosed
EP-0279466-A2 Novel naphthalene derivatives and antiallergy and anti-inflammatory pharmaceuticals WARNER-LAMBERT COMPANY (US) 1988-08-24 EP disclosed