SCHEMBL11600212

SCHEMBL11600212

CC1C[C@H]2[C@@H]3CC(F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)CO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 6/20 0.58
▸ AR P10275 5/20 0.56
▸ HIF1A Q16665 4/20 0.52
▸ NR3C1 P04150 4/20 0.52
▸ LMNA P02545 4/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ PGR P06401 4/20 0.51
▸ CYP3A4 P08684 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ ABCB11 O95342 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ SHBG P04278 2/20 0.49
▸ SERPINA6 P08185 2/20 0.49
▸ BLM P54132 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ TSHR P16473 1/20 0.49

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
SCHEMBL11201705 1.00 CYP19A1 (0.58) CYP19A1ARHIF1ANR3C1LMNA
SCHEMBL11600208 1.00 CYP19A1 (0.58) CYP19A1ARHIF1ANR3C1LMNA
SCHEMBL11125309 0.91 CYP19A1 (0.57) CYP19A1ARHIF1ANR3C1LMNA
SCHEMBL11125312 0.91 CYP19A1 (0.57) CYP19A1ARHIF1ANR3C1LMNA
SCHEMBL6566539 0.89 CYP19A1 (0.61) CYP19A1ARHIF1ANR3C1LMNA
SCHEMBL6566545 0.89 CYP19A1 (0.61) CYP19A1ARHIF1ANR3C1LMNA
SCHEMBL11311598 0.84 PGR (0.68) ARHIF1ANR3C1LMNAKMT2A
SCHEMBL11311611 0.84 PGR (0.68) ARHIF1ANR3C1LMNAKMT2A
SCHEMBL11313619 0.84 PGR (0.68) ARHIF1ANR3C1LMNAKMT2A
SCHEMBL9862493 0.83 HSD17B10 (0.71) ARHIF1ANR3C1LMNAKMT2A

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-4088537-A BIOTRANSFORMATION THE UPJOHN COMPANY (US) 1978-05-09 — — US disclosed
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