SCHEMBL679116

SCHEMBL679116

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.37
CYP19A1 P11511 4/20 0.36
NAAA Q02083 1/20 0.35
CYP17A1 P05093 3/20 0.35
EPHX2 P34913 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 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
SCHEMBL679915 0.81 NPSR1 (0.40) NPSR1CYP19A1NAAACYP17A1EPHX2
SCHEMBL16369107 0.79 CYP19A1 (0.40) NPSR1CYP19A1NAAACYP17A1EPHX2
SCHEMBL283707 0.78 CYP19A1 (0.39) NPSR1CYP19A1NAAACYP17A1EPHX2
SCHEMBL954294 0.78 TGM2 (0.38) NPSR1CYP19A1NAAACYP17A1EPHX2
SCHEMBL45476 0.75 NAAA (0.40) NPSR1CYP19A1NAAACYP17A1EPHX2
SCHEMBL451260 0.75 EPHX2 (0.37) NPSR1CYP19A1NAAACYP17A1EPHX2
SCHEMBL677512 0.74 KMT2A (0.45) NPSR1CYP19A1NAAACYP17A1EPHX2
Methacrylic Acid SCHEMBL21924974 0.74 CYP19A1 (0.36) NPSR1CYP19A1NAAACYP17A1EPHX2
SCHEMBL27736443 0.74 CYP19A1 (0.44) NPSR1CYP19A1NAAACYP17A1EPHX2
SCHEMBL28138951 0.74 NAAA (0.39) NPSR1CYP19A1NAAACYP17A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2163566-B1 RESIN FOR OPTICAL COMPONENT, RAW MATERIAL COMPOSITION USED FOR RESIN FOR OPTICAL COMPONENT, AND OPTICAL COMPONENT IDEMITSU KOSAN CO (JP) 2013-09-18 EP disclosed
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
EP-2163566-A1 RESIN FOR OPTICAL COMPONENT, RAW MATERIAL COMPOSITION USED FOR RESIN FOR OPTICAL COMPONENT, AND OPTICAL COMPONENT Idemitsu Kosan Co., Ltd. (JP) 2010-03-17 EP disclosed