SCHEMBL8058672

SCHEMBL8058672

C#C[C@]1(O)CC[C@H]2[C@H]3[C@H](/C(=C/C)C[C@@]21C)[C@H]1CCC(=O)C=C1C[C@H]3C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 7/20 0.52
▸ LMNA P02545 5/20 0.52
▸ ESR1 P03372 5/20 0.52
▸ SHBG P04278 5/20 0.52
▸ CYP3A4 P08684 4/20 0.52
▸ SLC6A4 P31645 4/20 0.52
▸ CYP2C19 P33261 4/20 0.52
▸ NR3C1 P04150 4/20 0.52
▸ ABCB11 O95342 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ HIF1A Q16665 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ ADRA2A P08913 1/20 0.52
▸ AR P10275 6/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ OPRK1 P41145 1/20 0.46

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
SCHEMBL10949444 0.92 PGR (0.51) PGRLMNAESR1SHBGCYP3A4
SCHEMBL7938356 0.87 PGR (0.56) PGRLMNAESR1SHBGCYP3A4
SCHEMBL10947612 0.81 PGR (0.41) PGRLMNAESR1SHBGCYP3A4
SCHEMBL23805202 0.80 PGR (0.72) PGRLMNAESR1SHBGCYP3A4
SCHEMBL6873042 0.80 PGR (0.72) PGRLMNAESR1SHBGCYP3A4
SCHEMBL6245967 0.80 PGR (0.72) PGRLMNAESR1SHBGCYP3A4
SCHEMBL2835215 0.80 PGR (0.72) PGRLMNAESR1SHBGCYP3A4
SCHEMBL5150213 0.78 PGR (0.54) PGRLMNAESR1SHBGCYP3A4
SCHEMBL7949842 0.76 PGR (0.52) PGRLMNAESR1SHBGCYP3A4
SCHEMBL10941436 0.76 LMNA (0.66) PGRLMNAESR1SHBGCYP3A4

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-6037339-A METHOD FOR TREATING OSTEOPOROSIS AKZO NOBEL N.V. (NL) 2000-03-14 — — US claimed
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