SCHEMBL19625877

SCHEMBL19625877

CC12CCC(=O)C=C1C=CC1C2CCC2(C)C(CCN)CCC12

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.64
CYP3A4 P08684 2/20 0.64
ALDH1A1 P00352 1/20 0.64
CYP2C19 P33261 1/20 0.64
AR P10275 1/20 0.64
CHRM1 P11229 1/20 0.64
TBXA2R P21731 1/20 0.64
ADRA1A P35348 1/20 0.64
CYP19A1 P11511 11/20 0.61
NR3C1 P04150 2/20 0.53
CHRM2 P08172 1/20 0.53
OPRK1 P41145 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 1/20 0.50
PDE4D Q08499 1/20 0.50
SRD5A2 P31213 1/20 0.39

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
SCHEMBL23638374 1.00 PGR (0.64) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL21367233 1.00 PGR (0.64) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL28600593 0.94 PGR (0.61) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL19625918 0.89 PGR (0.67) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL23638424 0.89 PGR (0.67) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL23514168 0.89 PGR (0.64) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL19625822 0.89 PGR (0.67) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL23638353 0.88 PGR (0.62) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL19625856 0.88 PGR (0.62) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL21367331 0.88 PGR (0.62) PGRCYP3A4ALDH1A1CYP2C19AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3848382-B1 INTERMEDIATES FOR THE SYNTHESIS OF BILE ACID DERIVATIVES, IN PARTICULAR OF OBETICHOLIC ACID NZP UK LTD (GB) 2023-11-29 EP disclosed
EP-3848382-A1 INTERMEDIATES FOR THE SYNTHESIS OF BILE ACID DERIVATIVES, IN PARTICULAR OF OBETICHOLIC ACID NZP UK Limited (GB) 2021-07-14 EP disclosed
EP-3458469-B1 INTERMEDIATES FOR THE SYNTHESIS OF BILE ACID DERIVATIVES, IN PARTICULAR OF OBETICHOLIC ACID NZP UK LTD (GB) 2021-04-14 EP disclosed
EP-3458468-B1 STEROID 6.7.BETA.-EPOXIDES AS CHEMICAL INTERMEDIATES NZP UK LTD (GB) 2020-12-09 EP disclosed
EP-3458467-B1 PROCESS FOR THE 6,7-ALPHA-EPOXIDATION OF STEROID 4,6-DIENES NZP UK LTD (GB) 2020-09-30 EP disclosed
WO-2017199036-A1 PROCESS AND INTERMEDIATES FOR THE 6,7-ALPHA-EPOXIDATION OF STEROID 4,6-DIENES NZP UK Limited (GB) 2017-11-23 WO disclosed
WO-2017199039-A1 STEROID 6.7.BETA.-EPOXIDES AS CHEMICAL INTERMEDIATES NZP UK Limited (GB) 2017-11-23 WO disclosed
WO-2017199033-A1 INTERMEDIATES FOR THE SYNTHESIS OF BILE ACID DERIVATIVES, IN PARTICULAR OF OBETICHOLIC ACID NZP UK Limited (GB) 2017-11-23 WO disclosed