SCHEMBL8926419

SCHEMBL8926419

CC(C)C1C[C@H]2[C@@H]3CCN4C(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1NC(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.41
BCHE P06276 3/20 0.39
EBP Q15125 2/20 0.36
DHCR7 Q9UBM7 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
TDP1 Q9NUW8 1/20 0.33
SRD5A2 P31213 4/20 0.33
SRD5A1 P18405 3/20 0.33
TRPV1 Q8NER1 2/20 0.33
CHRM1 P11229 1/20 0.32
AGTR2 P50052 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
CTSS P25774 1/20 0.31
AR P10275 1/20 0.31
ATM Q13315 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
SCHEMBL8926415 0.78 SRD5A1 (0.56) SRD5A2SRD5A1
SCHEMBL8925489 0.77 CYP19A1 (0.33) ACHEBCHEEBPDHCR7SRD5A2
SCHEMBL8927056 0.76 SRD5A2 (0.33) SRD5A2AR
SCHEMBL8926954 0.73 SRD5A1 (0.36) ACHEBCHESRD5A2SRD5A1AR
SCHEMBL8726908 0.72 SRD5A1 (0.43) SRD5A2SRD5A1AR
SCHEMBL8726903 0.72 SRD5A1 (0.43) SRD5A2SRD5A1AR
SCHEMBL8927180 0.72 AR (0.36) SRD5A2AR
SCHEMBL8926272 0.71 NR1H4 (0.37) ACHESRD5A2
SCHEMBL8926813 0.71 SRD5A2 (0.34) ACHEBCHESRD5A2AR
SCHEMBL8926809 0.70 SRD5A1 (0.37) SRD5A2SRD5A1AR

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