SCHEMBL8707992

SCHEMBL8707992

COC(=O)c1ccc(OC(=O)c2c(C)cc3c(c2C)C(C)(C)CC(C)(C)O3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.37
CYP3A4 P08684 3/20 0.36
ACR P10323 2/20 0.36
HGFAC Q04756 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36
PRSS1 P07477 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL9850236 0.81 RARB (0.45) POLBKMT2AMAPTLMNATSHR
SCHEMBL9850207 0.77 RARB (0.47) POLBKMT2AMAPTLMNATSHR
SCHEMBL9850181 0.70 RXRA (0.46) KMT2AMEN1CYP26A1RARBRARG
SCHEMBL8460713 0.70 RARA (0.58) KMT2AMAPTLMNAMEN1CYP3A4
SCHEMBL9850280 0.69 RXRA (0.41) POLBKMT2AMAPTLMNATSHR
SCHEMBL9850132 0.68 RARA (0.51) KMT2AMAPTLMNATSHRRAB9A
SCHEMBL16357038 0.68 ACR (0.56) POLBKMT2AMAPTLMNASMN1; SMN2
SCHEMBL9850128 0.68 COXFA4 (0.47) POLBKMT2AMAPTLMNATSHR
SCHEMBL9850140 0.68 MAPT (0.41) POLBKMT2AMAPTLMNATSHR
SCHEMBL9850125 0.67 RARB (0.55) POLBKMT2AMEN1CYP3A4ALDH1A1

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
WO-1998007716-A2 HETEROAROTINOIDS-ANTICANCER AGENTS WITH RECEPTOR SPECIFICITY AND TGASE ACTIVITY THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 1998-02-26 WO disclosed