SCHEMBL17354893

SCHEMBL17354893

CC(C=O)[C@H]1CC[C@H]2C(=O)CCC[C@]12C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.45
▸ CYP17A1 P05093 1/20 0.42
▸ CDC25A P30304 2/20 0.41
▸ CDC25B P30305 1/20 0.41
▸ NR1I2 O75469 2/20 0.39
▸ PGR P06401 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LMNA P02545 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ ADRA1A P35348 2/20 0.37
▸ AR P10275 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ ESR1 P03372 1/20 0.37

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
SCHEMBL3516879 1.00 CYP19A1 (0.45) CYP19A1CYP17A1CDC25ACDC25BNR1I2
SCHEMBL2609726 1.00 CYP19A1 (0.45) CYP19A1CYP17A1CDC25ACDC25BNR1I2
SCHEMBL3519758 1.00 CYP19A1 (0.45) CYP19A1CYP17A1CDC25ACDC25BNR1I2
SCHEMBL9010563 1.00 CYP19A1 (0.45) CYP19A1CYP17A1CDC25ACDC25BNR1I2
SCHEMBL12464613 1.00 CYP19A1 (0.45) CYP19A1CYP17A1CDC25ACDC25BNR1I2
SCHEMBL3516877 1.00 CYP19A1 (0.45) CYP19A1CYP17A1CDC25ACDC25BNR1I2
SCHEMBL3519755 1.00 CYP19A1 (0.45) CYP19A1CYP17A1CDC25ACDC25BNR1I2
SCHEMBL14495201 0.84 NR1I2 (0.44) CYP19A1CDC25ACDC25BNR1I2PGR
SCHEMBL12464968 0.84 CYP19A1 (0.49) CYP19A1CDC25ACDC25BNR1I2PGR
SCHEMBL13669231 0.84 CYP19A1 (0.49) CYP19A1CDC25ACDC25BNR1I2PGR

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-2334640-B1 METHODS FOR PRODUCING PARICALCITOL AZAD PHARMACEUTICAL INGREDIENTS AG (CH) 2015-12-23 — — EP disclosed
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