SCHEMBL8925489

SCHEMBL8925489

CC1C[C@H]2[C@@H]3CCN4C(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)OC(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33
SRD5A1 P18405 4/20 0.33
SRD5A2 P31213 3/20 0.33
ACHE P22303 3/20 0.33
AR P10275 1/20 0.32
KCNH2 Q12809 1/20 0.32
BCHE P06276 3/20 0.31
EBP Q15125 1/20 0.31
DHCR7 Q9UBM7 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
SCHEMBL8926954 0.88 SRD5A1 (0.36) SRD5A1SRD5A2ACHEARKCNH2
SCHEMBL8926912 0.87 SRD5A2 (0.34) SRD5A2ARKCNH2
SCHEMBL8926900 0.86 SRD5A2 (0.34) SRD5A2ARKCNH2
SCHEMBL8926272 0.86 NR1H4 (0.37) SRD5A2ACHE
SCHEMBL8927172 0.85 SRD5A2 (0.33) SRD5A2ARKCNH2EBPDHCR7
SCHEMBL8927036 0.84 SRD5A2 (0.33) SRD5A2ARKCNH2
SCHEMBL8926814 0.84 SRD5A2 (0.33) SRD5A2ARKCNH2
SCHEMBL8926995 0.84 SRD5A2 (0.33) SRD5A2ARKCNH2
SCHEMBL8927154 0.82 SRD5A2 (0.32) SRD5A1SRD5A2ARKCNH2
SCHEMBL8926239 0.82 SRD5A2 (0.33) CYP19A1SRD5A2ARKCNH2

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