SCHEMBL10901693

SCHEMBL10901693

CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C(F)F)C[C@@]21CC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.62
▸ AR P10275 8/20 0.62
▸ ESR1 P03372 5/20 0.62
▸ SHBG P04278 5/20 0.62
▸ OPRM1 P35372 3/20 0.62
▸ NR3C1 P04150 6/20 0.55
▸ LMNA P02545 5/20 0.55
▸ SLC6A4 P31645 5/20 0.55
▸ CYP3A4 P08684 4/20 0.55
▸ ABCB11 O95342 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ TSHR P16473 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ NR1I2 O75469 2/20 0.43
▸ CHRM2 P08172 1/20 0.43

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
SCHEMBL10901698 1.00 PGR (0.62) PGRARESR1SHBGOPRM1
SCHEMBL10596978 0.86 PGR (0.61) PGRARESR1SHBGOPRM1
SCHEMBL10598834 0.86 PGR (0.61) PGRARESR1SHBGOPRM1
SCHEMBL10898204 0.86 NR3C1 (0.52) PGRARESR1SHBGOPRM1
SCHEMBL25863862 0.82 PGR (0.79) PGRARESR1SHBGOPRM1
SCHEMBL25863926 0.82 PGR (0.79) PGRARESR1SHBGOPRM1
SCHEMBL11868140 0.82 PGR (0.79) PGRARESR1SHBGOPRM1
SCHEMBL10933347 0.79 PGR (0.80) PGRARESR1SHBGOPRM1
SCHEMBL10929575 0.79 PGR (0.80) PGRARESR1SHBGOPRM1
SCHEMBL11317752 0.79 PGR (0.80) PGRARESR1SHBGOPRM1

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-4567000-A ANTIFERTILITY AGENTS THE UPJOHN COMPANY (US) 1986-01-28 — — US claimed
Send feedback