SCHEMBL1680225

SCHEMBL1680225

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
TSHR P16473 2/20 0.35
HTT P42858 1/20 0.33
ACLY P53396 3/20 0.32
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
CPT2 P23786 1/20 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
SCHEMBL5505469 0.78 ALDH1A1 (0.40) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL3774113 0.78 ALDH1A1 (0.40) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL10974694 0.76 HMGCR (0.64) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL16438125 0.76 HMGCR (0.64) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL6557171 0.76
SCHEMBL13347361 0.75 ALDH1A1 (0.38) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL909920 0.74 ALDH1A1 (0.61) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL8815411 0.71 ALDH1A1 (0.39) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL10695777 0.71 ACLY (0.37) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL29901361 0.71 ALDH1A1 (0.39) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2612653-B2 COMPOSITION FOR CLEANING SCALP AND HEAD HAIR OTSUKA PHARMA CO LTD (JP) 2021-06-09 EP disclosed
EP-2612653-B1 COMPOSITION FOR CLEANING SCALP AND HEAD HAIR OTSUKA PHARMA CO LTD (JP) 2017-10-11 EP disclosed
US-20130216491-A1 COMPOSITION FOR CLEANING SCALP AND HEAD HAIR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
EP-2482789-A2 HAIR TREATMENT COMPOSITION COMPRISING POLYOXYALKYLENE ALKYL ETHER Kao Corporation (JP) 2012-08-08 EP disclosed
WO-2011040632-A2 HAIR TREATMENT COMPOSITION KAO CORPORATION (JP) 2011-04-07 WO disclosed