SCHEMBL10844786

SCHEMBL10844786

Cc1cc2c(cc1C=Cc1ccc(C(=O)Oc3ccc(N)cc3)cc1)C(C)(C)CC2(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.57
RARB P10826 5/20 0.57
RARG P13631 2/20 0.57
KMT2A Q03164 3/20 0.43
PKM P14618 1/20 0.43
CYP19A1 P11511 3/20 0.41
F2 P00734 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
SRD5A1 P18405 1/20 0.39
SRD5A2 P31213 1/20 0.39
MAPT P10636 3/20 0.37
GFER P55789 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TTR P02766 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
VDR P11473 1/20 0.36

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
SCHEMBL10844073 0.94 RARA (0.66) RARARARBRARGKMT2APKM
SCHEMBL10843222 0.88 RARA (0.50) RARARARBRARGKMT2APKM
SCHEMBL10845484 0.86 RARB (0.53) RARARARBRARGKMT2APKM
SCHEMBL10844563 0.84 RARB (0.64) RARARARBRARGKMT2APKM
SCHEMBL10844561 0.84 RARB (0.64) RARARARBRARGKMT2APKM
4-Aminophenol SCHEMBL10844782 0.83 RARB (0.69) RARARARBRARGKMT2ATTR
4-Aminophenol SCHEMBL10844788 0.83 RARB (0.69) RARARARBRARGKMT2ATTR
SCHEMBL10846904 0.82 RARB (0.57) RARARARBRARGKMT2APKM
SCHEMBL10842264 0.80 RARB (0.63) RARARARBRARGKMT2APKM
SCHEMBL4666958 0.77 RARB (0.75) RARARARBRARGMAPTLMNA

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-4578498-A FOR SKIN DISORDERS; REDUCED TOXICITY BASF AKTIENGESELLSCHAFT (DE) 1986-03-25 US disclosed