SCHEMBL5580932

SCHEMBL5580932

CCCCNC(=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 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 0.41
G6PD P11413 1/20 0.35
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
CYP19A1 P11511 3/20 0.34
LMNA P02545 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
SRD5A1 P18405 2/20 0.34
ABCC4 O15439 1/20 0.34
ABCB11 O95342 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
HSD3B1 P14060 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
SRD5A2 P31213 1/20 0.34
THPO P40225 1/20 0.34
BLM P54132 1/20 0.34

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 0.96 MBOAT4 (0.40) MBOAT4GRIN1GRIN2BLMNACYP3A4
SCHEMBL8564986 0.96 MBOAT4 (0.40) MBOAT4GRIN1GRIN2BLMNACYP3A4
SCHEMBL9580259 0.83 SRD5A1 (0.45) MBOAT4GRIN1GRIN2BCYP19A1LMNA
SCHEMBL9134492 0.82 MBOAT4 (0.40) MBOAT4GRIN1GRIN2BCYP19A1LMNA
SCHEMBL10698417 0.82 MBOAT4 (0.45) MBOAT4GRIN1GRIN2BCYP19A1LMNA
SCHEMBL4807036 0.82 MBOAT4 (0.47) MBOAT4GRIN1GRIN2BCYP19A1LMNA
SCHEMBL7643438 0.82 MBOAT4 (0.47) MBOAT4GRIN1GRIN2BCYP19A1LMNA
SCHEMBL8978606 0.80 MBOAT4 (0.39) MBOAT4GRIN1GRIN2BCYP19A1CYP3A4
SCHEMBL9235530 0.79 MBOAT4 (0.39) MBOAT4GRIN1GRIN2BCYP19A1LMNA
SCHEMBL5580929 0.79 CYP19A1 (0.35) MBOAT4G6PDGRIN1GRIN2BCYP19A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462936-A1 SiRNA mediated post-transriptional gene-silencing of genes involved in alopecia Gencia Corporation (US) 2012-06-13 EP claimed
US-20070141009-A1 Sirna mediated post-transriptional gene silencing of genes involved in alopecia GENCIA CORPORATION 2007-06-21 US claimed
EP-2462936-A1 SiRNA mediated post-transriptional gene-silencing of genes involved in alopecia Gencia Corporation (US) 2012-06-13 EP disclosed
US-20070141009-A1 Sirna mediated post-transriptional gene silencing of genes involved in alopecia GENCIA CORPORATION 2007-06-21 US disclosed
US-5670643-A Method for preparing finasteride GLAXO WELLCOME INC. (US) 1997-09-23 US disclosed