SCHEMBL8926946

SCHEMBL8926946

CCCOC(=O)C1C(C)C[C@H]2[C@@H]3CCN4C(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
AR P10275 1/20 0.33
KCNH2 Q12809 1/20 0.33
SRD5A2 P31213 3/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 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
SCHEMBL8927169 0.88 G6PD (0.36) ARKCNH2SRD5A2
SCHEMBL8927181 0.85 SRD5A2 (0.35) ARKCNH2SRD5A2
SCHEMBL8927275 0.84 AR (0.37) ARKCNH2SRD5A2
SCHEMBL8924896 0.80 AR (0.35) ARKCNH2SRD5A2
SCHEMBL8927033 0.77 AR (0.36) ARKCNH2SRD5A2
SCHEMBL8926938 0.77 SRD5A1 (0.54) SRD5A2
SCHEMBL8926814 0.76 SRD5A2 (0.33) ARKCNH2SRD5A2
SCHEMBL8927002 0.76 AR (0.39) ARKCNH2SRD5A2
SCHEMBL8925443 0.76 AR (0.34) ARKCNH2SRD5A2
SCHEMBL8926431 0.76 AR (0.33) ARKCNH2SRD5A2

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-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed