SCHEMBL10844563

SCHEMBL10844563

COC(=O)c1ccc(C=Cc2cc3c(cc2C)C(C)(C)CC3(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.64
RARG P13631 6/20 0.64
RARA P10276 5/20 0.64
PTPN1 P18031 1/20 0.49
VDR P11473 4/20 0.47
LMNA P02545 4/20 0.44
MAPT P10636 4/20 0.44
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RAB9A P51151 2/20 0.42
S1PR4 O95977 1/20 0.42
POLB P06746 1/20 0.42
ALPG P10696 1/20 0.42
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
S1PR1 P21453 1/20 0.42
NTSR1 P30989 1/20 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
SCHEMBL10844561 1.00 RARB (0.64) RARBRARGRARAPTPN1VDR
SCHEMBL2594345 0.93 RARB (0.75) RARBRARGRARAPTPN1VDR
SCHEMBL4666958 0.93 RARB (0.75) RARBRARGRARAPTPN1VDR
SCHEMBL14159976 0.86 RARB (0.57) RARBRARGRARAPTPN1VDR
SCHEMBL14159896 0.86 RARB (0.57) RARBRARGRARAPTPN1VDR
SCHEMBL10844786 0.84 RARA (0.57) RARBRARGRARAVDRLMNA
SCHEMBL10846838 0.81 RARA (0.72) RARBRARGRARA
SCHEMBL10846840 0.81 RARA (0.72) RARBRARGRARA
SCHEMBL14159838 0.80 RARB (0.49) RARBRARGRARAPTPN1VDR
SCHEMBL14159916 0.80 RARB (0.49) RARBRARGRARAPTPN1VDR

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