SCHEMBL28761111

SCHEMBL28761111

COCC(C)(C)CC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
FFAR1 O14842 1/20 0.50
CPT2 P23786 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HMGCR P04035 1/20 0.46
CHRM1 P11229 1/20 0.46
TBXA2R P21731 1/20 0.46
ADRA1A P35348 1/20 0.46
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.35
BHMT Q93088 3/20 0.34
FFAR3 O14843 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL16270495 0.91 KDM4E (0.43) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL18812066 0.80 GAA (0.35) KDM4EFFAR1CPT2TDP1ALDH1A1
SCHEMBL10257672 0.79 FFAR1 (0.55) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL25600207 0.78 TSHR (0.42) KDM4ETSHRALDH1A1
SCHEMBL30854909 0.78 KDM4E (0.65) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL48109 0.78 KDM4E (0.65) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL10266616 0.78 FFAR1 (0.58) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL12094521 0.78 FFAR1 (0.53) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL10268279 0.78 TDP1 (0.53) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL27649374 0.77 HMGCR (0.42) KDM4EFFAR1CPT2TDP1HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1882880-A Aqueous resist composition SHOWA DENKO KK (JP) 2006-12-20 CN disclosed