SCHEMBL8623741

SCHEMBL8623741

COC1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@@H]1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.75
ESR2 Q92731 5/20 0.75
LMNA P02545 4/20 0.75
CYP2C9 P11712 2/20 0.75
CYP2C19 P33261 2/20 0.75
HIF1A Q16665 2/20 0.75
NR3C1 P04150 2/20 0.75
SHBG P04278 2/20 0.75
PGR P06401 2/20 0.75
SERPINA6 P08185 2/20 0.75
AR P10275 2/20 0.75
SLC6A4 P31645 2/20 0.75
SNCA P37840 2/20 0.75
SLC6A3 Q01959 2/20 0.75
PTGS1 P23219 1/20 0.75
OR51E2 Q9H255 1/20 0.75
UGT1A10 Q9HAW8 1/20 0.75
HSD17B10 Q99714 3/20 0.66
TSHR P16473 2/20 0.66
STS P08842 2/20 0.66

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
SCHEMBL8623738 1.00 ESR1 (0.75) ESR1ESR2LMNACYP2C9CYP2C19
SCHEMBL17814221 1.00 ESR1 (0.75) ESR1ESR2LMNACYP2C9CYP2C19
SCHEMBL17808700 0.88 ESR1 (0.71) ESR1ESR2LMNACYP2C9CYP2C19
Estriol SCHEMBL4287011 0.87 ESR1 (0.93) ESR1ESR2LMNACYP2C9CYP2C19
SCHEMBL7526040 0.87 ESR1 (0.69) ESR1ESR2LMNACYP2C9CYP2C19
SCHEMBL7518726 0.87 LMNA (0.71) ESR1ESR2LMNACYP2C9CYP2C19
SCHEMBL1999916 0.87 LMNA (0.71) ESR1ESR2LMNACYP2C9CYP2C19
SCHEMBL1999913 0.87 LMNA (0.71) ESR1ESR2LMNACYP2C9CYP2C19
SCHEMBL7526045 0.87 ESR1 (0.69) ESR1ESR2LMNACYP2C9CYP2C19
Estriol SCHEMBL23743979 0.86 ESR1 (1.00) ESR1ESR2LMNACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5709844-A HUMAN PAPILLOMAVIRUS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-01-20 US disclosed
US-5698764-A Transgenic mice expressing HPV early region oncogene develop progressive epithelial neoplasia THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-12-16 US disclosed
WO-1995033826-A1 TRANSGENIC MICE EXPRESSING PROGRESSIVE CERVICO-VAGINAL NEOPLASIA THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-12-14 WO disclosed
WO-1995033820-A1 TRANSGENIC MICE EXPRESSING PROGRESSIVE EPITHELIAL NEOPLASIA THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-12-14 WO disclosed