SCHEMBL679915

SCHEMBL679915

C=C(C(=O)OC12CC3CC(CC(C3)C1)C2)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.40
CYP19A1 P11511 4/20 0.40
CYP17A1 P05093 3/20 0.40
NAAA Q02083 1/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.31
CA2 P00918 1/20 0.31
CACNA1H O95180 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
SCHEMBL954294 0.82 TGM2 (0.38) NPSR1CYP19A1CYP17A1NAAAEPHX2
SCHEMBL679116 0.81 NPSR1 (0.37) NPSR1CYP19A1CYP17A1NAAAMEN1
SCHEMBL45476 0.79 NAAA (0.40) NPSR1CYP19A1CYP17A1NAAAMEN1
SCHEMBL16369107 0.79 CYP19A1 (0.40) NPSR1CYP19A1CYP17A1NAAAMEN1
SCHEMBL27736443 0.78 CYP19A1 (0.44) NPSR1CYP19A1CYP17A1NAAAMEN1
SCHEMBL28138951 0.78 NAAA (0.39) NPSR1CYP19A1CYP17A1NAAAMEN1
SCHEMBL217994 0.77 CYP19A1 (0.39) NPSR1CYP19A1CYP17A1NAAAMEN1
SCHEMBL8399502 0.77 CYP19A1 (0.39) NPSR1CYP19A1CYP17A1NAAAMEN1
SCHEMBL21392499 0.77 CYP19A1 (0.39) NPSR1CYP19A1CYP17A1NAAAMEN1
SCHEMBL13232360 0.77 CYP19A1 (0.50) NPSR1CYP19A1CYP17A1NAAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288231-A1 RAW-MATERIAL COMPOSITIONS FOR RESIN FOR OPTICAL PART, RESIN FOR OPTICAL PART, AND OPTICAL PART IDEMITSU KOSAN CO., LTD. (JP) 2011-11-24 US disclosed
EP-2374824-A1 RAW-MATERIAL COMPOSITIONS FOR RESIN FOR OPTICAL PART, RESIN FOR OPTICAL PART, AND OPTICAL PART Idemitsu Kosan Co., Ltd. (JP) 2011-10-12 EP disclosed
US-8013091-B2 Resin for optical component, raw material composition used for resin for optical component, and optical component IDEMITSU KOSAN CO., LTD. (JP) 2011-09-06 US disclosed
US-20100324246-A1 RESIN FOR OPTICAL COMPONENT, RAW MATERIAL COMPOSITION USED FOR RESIN FOR OPTICAL COMPONENT, AND OPTICAL COMPONENT IDEMITSU KOSAN CO., LTD. (JP) 2010-12-23 US disclosed