SCHEMBL6433717

SCHEMBL6433717

Oc1ccc(-c2cc3ccccc3o2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.58
RARB P10826 4/20 0.49
RARA P10276 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
RARG P13631 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44

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
SCHEMBL2911481 0.82 RARG (0.70) RARBRARAMEN1KMT2ARARG
SCHEMBL7052829 0.82 RARG (0.70) RARBRARAMEN1KMT2ARARG
SCHEMBL7053289 0.80 RARB (0.55) RARBRARAMEN1KMT2ARARG
SCHEMBL2911484 0.79 RARB (0.52) RARBRARAMEN1KMT2ARARG
SCHEMBL6454889 0.79 RARB (0.70) ALOX5RARBRARAMEN1KMT2A
SCHEMBL18678069 0.77 RARB (0.65) ALOX5RARBRARAMEN1KMT2A
SCHEMBL15029021 0.75 ALOX5 (0.51) ALOX5MEN1KMT2AKDM4EALDH1A1
SCHEMBL15029156 0.74 KDM4E (0.56) ALOX5KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL13004823 0.72 MEN1 (0.58) RARBRARAMEN1KMT2ARARG
SCHEMBL29529449 0.70 STS (0.46) KDM4EMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858647-B2 Retinoid compounds suited for antibacterial applications GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2005-02-22 US disclosed