SCHEMBL677512

SCHEMBL677512

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 4/20 0.42
CYP19A1 P11511 4/20 0.36
NAAA Q02083 1/20 0.35
CYP17A1 P05093 3/20 0.35
EPHX2 P34913 4/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 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
SCHEMBL678026 0.81 CYP19A1 (0.40) KMT2AALDH1A1CYP19A1NAAACYP17A1
SCHEMBL16369093 0.80 ALDH1A1 (0.54) KMT2ASMN1; SMN2ALDH1A1CYP19A1NAAA
SCHEMBL16369107 0.79 CYP19A1 (0.40) KMT2AALDH1A1CYP19A1NAAACYP17A1
SCHEMBL283707 0.78 CYP19A1 (0.39) KMT2ASMN1; SMN2ALDH1A1CYP19A1NAAA
SCHEMBL3743987 0.78 CYP19A1 (0.33) KMT2ASMN1; SMN2ALDH1A1CYP19A1NAAA
SCHEMBL217993 0.76 CYP19A1 (0.36) KMT2AALDH1A1CYP19A1NAAACYP17A1
SCHEMBL45476 0.75 NAAA (0.40) KMT2AALDH1A1CYP19A1NAAACYP17A1
SCHEMBL451260 0.75 EPHX2 (0.37) KMT2AALDH1A1CYP19A1NAAACYP17A1
Methacrylic Acid SCHEMBL7096069 0.75 CYP19A1 (0.33) CYP19A1NAAACYP17A1NPSR1
SCHEMBL679116 0.74 NPSR1 (0.37) KMT2AALDH1A1CYP19A1NAAACYP17A1

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