SCHEMBL10845484

SCHEMBL10845484

CC1(C)CC(C)(C)c2cc(C=Cc3ccc(C(=O)Oc4ccc(N)cc4)cc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.53
RARG P13631 6/20 0.53
RARA P10276 5/20 0.53
KMT2A Q03164 3/20 0.46
PKM P14618 1/20 0.46
CYP19A1 P11511 1/20 0.44
F2 P00734 2/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
NR1H4 Q96RI1 1/20 0.43
CYP26A1 O43174 1/20 0.41
MAPT P10636 4/20 0.40
GFER P55789 1/20 0.40
KDM4E B2RXH2 2/20 0.39
RXRA P19793 1/20 0.39
SRD5A1 P18405 1/20 0.39
SRD5A2 P31213 1/20 0.39
PTPN1 P18031 1/20 0.39
LMNA P02545 2/20 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
SCHEMBL10842264 0.93 RARB (0.63) RARBRARGRARAKMT2APKM
SCHEMBL10844786 0.86 RARA (0.57) RARBRARGRARAKMT2APKM
SCHEMBL10851223 0.85 RARB (0.56) RARBRARGRARAKMT2APKM
SCHEMBL10846782 0.84 KMT2A (0.44) RARBRARGRARAKMT2APKM
4-Aminophenol SCHEMBL10845478 0.81 RARB (0.67) RARBRARGRARACYP26A1KDM4E
4-Aminophenol SCHEMBL10845491 0.81 RARB (0.67) RARBRARGRARACYP26A1KDM4E
SCHEMBL10844073 0.80 RARA (0.66) RARBRARGRARAKMT2APKM
SCHEMBL11249456 0.79 RARB (0.56) RARBRARGRARACYP26A1RXRA
SCHEMBL11249459 0.79 RARB (0.56) RARBRARGRARACYP26A1RXRA
SCHEMBL10846904 0.79 RARB (0.57) RARBRARGRARAKMT2APKM

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