SCHEMBL4970428

SCHEMBL4970428

CC(CC#CCC(C)C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM1 P11229 1/20 0.45
TP53 P04637 1/20 0.40
FOLH1 Q04609 2/20 0.39
NAALAD2 Q9Y3Q0 2/20 0.39
ENPEP Q07075 2/20 0.39
BLM P54132 1/20 0.39
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
ACE2 Q9BYF1 1/20 0.37
LTA4H P09960 1/20 0.35

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
SCHEMBL15551689 0.90 GRIK1 (0.50) GABRR1CYP1A2CHRM1TP53FOLH1
SCHEMBL10477518 0.90 GRIK1 (0.50) GABRR1CYP1A2CHRM1TP53FOLH1
SCHEMBL576851 0.87
SCHEMBL14214372 0.87
SCHEMBL15549648 0.87
SCHEMBL4289130 0.87
SCHEMBL15550120 0.86 GRIK1 (0.53) GABRR1CYP1A2CHRM1BLMGRIK1
SCHEMBL10477514 0.86 GRIK1 (0.53) GABRR1CYP1A2CHRM1BLMGRIK1
Hydrochloric Acid SCHEMBL17274559 0.85 GRIK1 (0.47) GABRR1CYP1A2CHRM1TP53FOLH1
SCHEMBL3135348 0.85

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
EP-0980016-B1 ALIGNING AGENT FOR LIQUID CRYSTAL NISSAN CHEMICAL IND LTD (JP) 2008-09-24 EP disclosed
EP-0980016-A1 ALIGNING AGENT FOR LIQUID CRYSTAL Nissan Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed