SCHEMBL8927172

SCHEMBL8927172

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)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.33
AR P10275 1/20 0.32
KCNH2 Q12809 1/20 0.32
EBP Q15125 1/20 0.31
DHCR7 Q9UBM7 1/20 0.31
LMNA P02545 1/20 0.30
NR1I2 O75469 1/20 0.30
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30

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
SCHEMBL8926912 0.91 SRD5A2 (0.34) SRD5A2ARKCNH2
SCHEMBL8926900 0.90 SRD5A2 (0.34) SRD5A2ARKCNH2
SCHEMBL8927154 0.90 SRD5A2 (0.32) SRD5A2ARKCNH2
SCHEMBL8927036 0.88 SRD5A2 (0.33) SRD5A2ARKCNH2
SCHEMBL8926814 0.88 SRD5A2 (0.33) SRD5A2ARKCNH2LMNANR1I2
SCHEMBL8926995 0.88 SRD5A2 (0.33) SRD5A2ARKCNH2
SCHEMBL8926239 0.86 SRD5A2 (0.33) SRD5A2ARKCNH2
SCHEMBL8925489 0.85 CYP19A1 (0.33) SRD5A2ARKCNH2EBPDHCR7
SCHEMBL8927180 0.85 AR (0.36) SRD5A2ARKCNH2
SCHEMBL8926876 0.84 SRD5A2 (0.33) SRD5A2ARKCNH2EBPDHCR7

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