SCHEMBL9624053

SCHEMBL9624053

C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@]1(O)C#N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 9/20 0.64
▸ NR3C1 P04150 5/20 0.64
▸ PGR P06401 4/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ ADRA1A P35348 1/20 0.64
▸ HTR2B P41595 1/20 0.64
▸ LMNA P02545 8/20 0.61
▸ SMN1; SMN2 Q16637 5/20 0.61
▸ TSHR P16473 5/20 0.61
▸ CYP2C19 P33261 3/20 0.61
▸ AR P10275 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ HIF1A Q16665 2/20 0.61
▸ THRB P10828 1/20 0.61
▸ ESR1 P03372 1/20 0.61
▸ SERPINA6 P08185 7/20 0.59
▸ BLM P54132 4/20 0.59
▸ MAPT P10636 2/20 0.59
▸ CYP17A1 P05093 2/20 0.59

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
SCHEMBL9624055 1.00 SHBG (0.64) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL10892430 0.89 SHBG (0.70) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL10868441 0.89 SHBG (0.70) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL9347593 0.85 SHBG (0.70) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL24476211 0.82 SHBG (0.79) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL8746790 0.82 SHBG (0.79) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL22920273 0.82 SHBG (0.79) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL11062192 0.82 SHBG (0.79) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL8746789 0.82 SHBG (0.79) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL10867342 0.82 SHBG (0.69) SHBGNR3C1PGRALDH1A1ADRA1A

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-0268400-B1 STEROIDAL 17ALPHA-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGESTERONES THE UPJOHN COMPANY (US) 1992-04-29 — — EP claimed
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