SCHEMBL8564986

SCHEMBL8564986

CCCCCCCCNC(=O)C1=C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)NC1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 0.40
GPR84 Q9NQS5 2/20 0.35
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
ABCC4 O15439 1/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD3B1 P14060 1/20 0.33
SRD5A1 P18405 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
SRD5A2 P31213 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL8569642 1.00 MBOAT4 (0.40) MBOAT4GPR84GRIN1GRIN2BABCC4
SCHEMBL5580932 0.96 MBOAT4 (0.41) MBOAT4GRIN1GRIN2BABCC4ABCB11
SCHEMBL9134492 0.81 MBOAT4 (0.40) MBOAT4GRIN1GRIN2BABCC4ABCB11
SCHEMBL10698417 0.81 MBOAT4 (0.45) MBOAT4GRIN1GRIN2BABCC4ABCB11
SCHEMBL4807036 0.80 MBOAT4 (0.47) MBOAT4GRIN1GRIN2BABCC4ABCB11
SCHEMBL8564985 0.79 CYP19A1 (0.34) MBOAT4GPR84GRIN1GRIN2BABCC4
SCHEMBL8571736 0.79 CYP19A1 (0.34) MBOAT4GPR84GRIN1GRIN2BABCC4
SCHEMBL8978606 0.79 MBOAT4 (0.39) MBOAT4GRIN1GRIN2BCYP3A4
SCHEMBL9235530 0.78 MBOAT4 (0.39) MBOAT4GRIN1GRIN2BABCC4ABCB11
SCHEMBL9618180 0.76 SRD5A1 (0.44) MBOAT4GRIN1GRIN2BSRD5A1SRD5A2

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-5817818-A THERAPY OF ANDROGEN RESPONSIVE DISEASES GLAXO WELLCOME INC. (US) 1998-10-06 US disclosed