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Sugi Predict / Compounds / SCHEMBL10942005

SCHEMBL10942005

SCHEMBL10942005

CC#C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@@H]4[C@H]3/C(=C/F)C[C@@]21C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 4/20 0.40
▸ ESR1 P03372 10/20 0.36
▸ AR P10275 9/20 0.36
▸ ESR2 Q92731 8/20 0.36
▸ CYP17A1 P05093 1/20 0.32
▸ NR3C1 P04150 2/20 0.31
▸ PGR P06401 1/20 0.31

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
SCHEMBL10943932 0.78 PGR (0.51) SHBGESR1ARNR3C1PGR
SCHEMBL10944833 0.76 NR3C1 (0.52) SHBGESR1ARNR3C1PGR
SCHEMBL10942189 0.76 NR3C1 (0.52) SHBGESR1ARNR3C1PGR
SCHEMBL15164706 0.71 ESR1 (0.44) SHBGESR1ARESR2NR3C1
SCHEMBL15152963 0.71 ESR1 (0.44) SHBGESR1ARESR2NR3C1
SCHEMBL15164627 0.71 ESR1 (0.44) SHBGESR1ARESR2NR3C1
SCHEMBL2594889 0.71 ESR1 (0.44) SHBGESR1ARESR2NR3C1
SCHEMBL10947612 0.70 PGR (0.41) SHBGESR1ARNR3C1PGR
SCHEMBL10948433 0.67 PGR (0.65) SHBGESR1ARESR2NR3C1
SCHEMBL10943593 0.65 LMNA (0.66) SHBGESR1ARNR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4557867-A CONTRACEPTIVES THE UPJOHN COMPANY (US) 1985-12-10 — — US disclosed
EP-0145493-A2 11-Difluoromethyl and 11-fluoromethylene steroids THE UPJOHN COMPANY (US) 1985-06-19 — — EP disclosed
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