SCHEMBL23383533

SCHEMBL23383533

CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CCC4[C@@H]3CC[C@]12C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINA6 P08185 5/20 0.61
▸ AR P10275 6/20 0.59
▸ PGR P06401 5/20 0.59
▸ CYP3A4 P08684 4/20 0.59
▸ ALDH1A1 P00352 4/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ CHRM1 P11229 2/20 0.59
▸ ADRA1A P35348 2/20 0.59
▸ TBXA2R P21731 1/20 0.59
▸ NR3C2 P08235 4/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ HIF1A Q16665 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ SLC22A1 O15245 2/20 0.50
▸ SHBG P04278 2/20 0.50
▸ GPBAR1 Q8TDU6 2/20 0.50

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
SCHEMBL1650166 1.00 SERPINA6 (0.61) SERPINA6ARPGRCYP3A4ALDH1A1
SCHEMBL2832958 0.85 SHBG (0.59) SERPINA6ARPGRCYP3A4ALDH1A1
SCHEMBL30140884 0.85 SHBG (0.59) SERPINA6ARPGRCYP3A4ALDH1A1
SCHEMBL7703808 0.85 SHBG (0.59) SERPINA6ARPGRCYP3A4ALDH1A1
SCHEMBL12101456 0.84 CYP17A1 (0.54) SERPINA6ARPGRCYP3A4ALDH1A1
SCHEMBL14200096 0.84 CYP17A1 (0.54) SERPINA6ARPGRCYP3A4ALDH1A1
SCHEMBL13397495 0.84 CYP17A1 (0.54) SERPINA6ARPGRCYP3A4ALDH1A1
SCHEMBL8843324 0.84 CYP17A1 (0.54) SERPINA6ARPGRCYP3A4ALDH1A1
SCHEMBL17302786 0.84 CYP17A1 (0.54) SERPINA6ARPGRCYP3A4ALDH1A1
SCHEMBL12437208 0.84 CYP17A1 (0.54) SERPINA6ARPGRCYP3A4ALDH1A1

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
WO-2021093494-A1 PRODUCTION PROCESS CAPABLE OF INDUSTRIALLY SYNTHESIZING DYDROGESTERONE 广西师范大学 2021-05-20 — — WO disclosed
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