SCHEMBL11525401

SCHEMBL11525401

CCCCC(=O)OCC1=CC2C=CC1C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
DGKA P23743 1/20 0.36
EPHX2 P34913 1/20 0.35
ELANE P08246 2/20 0.34
PRKCA P17252 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
THRB P10828 1/20 0.34
PAM P19021 2/20 0.33
P2RX7 Q99572 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
SCHEMBL11529143 0.95 NLRP3 (0.45) NLRP3DGKAEPHX2ELANEPRKCA
SCHEMBL11528557 0.92 NLRP3 (0.41) NLRP3
SCHEMBL11527619 0.85 ALDH1A1 (0.33) CYP1A2HPGDCYP2C19
SCHEMBL11564327 0.73 ALOX15 (0.40) NLRP3DGKAEPHX2
SCHEMBL11529368 0.68 NLRP3 (0.42) NLRP3L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL11529960 0.68 TDP1 (0.45) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17367634 0.64 DGKA (0.46) L3MBTL1CYP3A4DGKAELANETDP1
SCHEMBL17938453 0.64 L3MBTL1 (0.55) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2080315 0.63
SCHEMBL18087018 0.63 L3MBTL1 (0.47) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4132750-A RING OPENING POLYMERIZATION OF NORBORNENE DERIVATIVES SHOWA DENKO K.K. (JP) 1979-01-02 US disclosed
US-4028482-A LOW VISCOSITY POLYALKENAMER SHOWA DENKO KABUSHIKI KAISHA (JA) 1977-06-07 US disclosed