SCHEMBL8924975

SCHEMBL8924975

C[C@H]1C[C@H]2[C@@H]3CC[C@H]4N(C)CCC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1NC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.45
SRD5A1 P18405 4/20 0.43
SRD5A2 P31213 2/20 0.43
BCHE P06276 3/20 0.42
AR P10275 1/20 0.39
KCNH2 Q12809 1/20 0.39
EBP Q15125 1/20 0.37
DHCR7 Q9UBM7 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL8925043 0.85 AR (0.39) ACHEBCHEARKCNH2
SCHEMBL8925259 0.83 AR (0.38) SRD5A2ARKCNH2
SCHEMBL8926885 0.82 SRD5A1 (0.43) ACHESRD5A1SRD5A2ARKCNH2
SCHEMBL8724695 0.75 SRD5A1 (0.42) SRD5A1SRD5A2AR
SCHEMBL8926415 0.74 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8908656 0.72 SRD5A1 (0.66) SRD5A1SRD5A2
SCHEMBL8925516 0.71 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8926945 0.71 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8724838 0.69 G6PD (0.40) SRD5A2
SCHEMBL8909725 0.68 AR (0.64) SRD5A2ARKCNH2

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