SCHEMBL11529960

SCHEMBL11529960

CCCCC(=O)OCC1=C(c2ccccc2)C2C=CC1C2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
GAA P10253 1/20 0.38
MGLL Q99685 3/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADORA1 P30542 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MIF P14174 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
SCHEMBL11533876 0.82 ALDH1A1 (0.46) TDP1L3MBTL1MEN1KMT2AHPGD
SCHEMBL11529368 0.75 NLRP3 (0.42) TDP1L3MBTL1MEN1KMT2AHPGD
Biphenyl SCHEMBL27395713 0.71 CYP4F2 (0.54) TDP1MEN1KMT2AKDM4ERECQL
SCHEMBL133636 0.71 ALDH1A1 (0.59) TDP1L3MBTL1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL28136732 0.70 ALDH1A1 (0.58) TDP1L3MBTL1MEN1KMT2AKDM4E
Water SCHEMBL27569528 0.70 ALDH1A1 (0.58) TDP1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL17938453 0.69 L3MBTL1 (0.55) TDP1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL27457238 0.68 MGLL (0.53) TDP1L3MBTL1MEN1KMT2AMGLL
SCHEMBL11525401 0.68 NLRP3 (0.39) TDP1L3MBTL1HPGDCYP1A2CYP3A4
Valeric Acid SCHEMBL28813456 0.67 HTT (0.55) TDP1L3MBTL1MEN1KMT2AKDM4E

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
US-4132750-A RING OPENING POLYMERIZATION OF NORBORNENE DERIVATIVES SHOWA DENKO K.K. (JP) 1979-01-02 US disclosed
US-4105608-A HIGH IMPACT COMPOSITION OF RING-OPENING POLYMERIZATION PRODUCT SHOWA DENKO K.K. (JP) 1978-08-08 US disclosed
US-4059561-A AND A HALOGEN COMPOUND SHOWA DENKO KABUSHIKI KAISHA (JA) 1977-11-22 US disclosed
US-4028482-A LOW VISCOSITY POLYALKENAMER SHOWA DENKO KABUSHIKI KAISHA (JA) 1977-06-07 US disclosed
US-4022954-A ADHESIVES, FLOCCULATING AGENTS, ION EXCHANGE RESINS, MOLDING AGENTS SHOWA DENKO KABUSHIKI KAISHA (JA) 1977-05-10 US disclosed