SCHEMBL755715

SCHEMBL755715

[CH2]CCC(CC(=O)O)(CC(=O)O)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
HMGCR P04035 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
ADRA1A P35348 1/20 0.38
CPT2 P23786 2/20 0.37
FFAR1 O14842 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 1/20 0.32
ACLY P53396 3/20 0.31

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
SCHEMBL28060340 0.77 ALDH1A1 (0.41) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL544773 0.75 ALDH1A1 (0.50) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL1311882 0.74 LMNA (0.44) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL5076638 0.72 LMNA (0.42) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL9421845 0.70 LMNA (0.40) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL2930714 0.70 LMNA (0.50) ALDH1A1CPT2FFAR1TDP1CYP2D6
SCHEMBL25400507 0.69 HMGCR (0.36) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL16237875 0.69 LMNA (0.55) ALDH1A1CPT2FFAR1TDP1CYP2D6
Water SCHEMBL6759104 0.69 LMNA (0.48) ALDH1A1CPT2FFAR1TDP1CYP2D6
SCHEMBL9770202 0.67 ALDH1A1 (0.43) ALDH1A1HMGCRCHRM1TBXA2RADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622953-B1 METHOD FOR PRODUCING BLOCK COPOLYMERS FOR TYRE TREAD COMPOSITIONS, AND CORRESPONDING COPOLYMERS MICHELIN SOC TECH (FR) 2012-03-21 EP disclosed
EP-1622953-A1 METHOD FOR PRODUCING BLOCK COPOLYMERS FOR TYRE TREAD COMPOSITIONS, AND CORRESPONDING COPOLYMERS Société de Technologie Michelin (FR) 2006-02-08 EP disclosed
WO-2004099277-A1 METHOD FOR PRODUCING BLOCK COPOLYMERS FOR TYRE TREAD COMPOSITIONS, AND CORRESPONDING COPOLYMERS SOCIETE DE TECHNOLOGIE MICHELIN (FR) 2004-11-18 WO disclosed