SCHEMBL8407425

SCHEMBL8407425

C=C(OCC)c1ccc([C@H]2C[C@]3(C)C(=O)CC[C@H]3[C@@H]3C[C@@H](C)[C@@]4(O)CC5(CC[C@@H]4[C@H]32)OCCO5)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP19A1 P11511 10/20 0.33
▸ HSD17B3 P37058 4/20 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
SCHEMBL8407083 0.82 CYP19A1 (0.37) POLBMAPTCYP19A1
SCHEMBL8409402 0.79 CYP1B1 (0.42) POLBMAPTCYP19A1
SCHEMBL8623528 0.78 CYP19A1 (0.34) POLBMAPTCYP19A1HSD17B3
SCHEMBL8651638 0.71 MAPT (0.39) POLBMAPTCYP19A1
SCHEMBL9174063 0.71 MAPT (0.39) POLBMAPTCYP19A1
SCHEMBL8768139 0.71 MAPT (0.39) POLBMAPTCYP19A1
SCHEMBL8407453 0.70 PGR (0.34) POLB
SCHEMBL8653384 0.70 MAPT (0.38) POLBMAPTCYP19A1
SCHEMBL8410183 0.70 PGR (0.32) —
SCHEMBL8654560 0.69 STS (0.38) POLBMAPTCYP19A1HSD17B3

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
EP-0565553-B1 6,7-MODIFIED 11$g(b)-ARYL-4-ESTRENES SCHERING AG (DE) 1999-07-21 — — EP disclosed
Send feedback