Crotonic Acid

Crotonic Acid

SCHEMBL8640256

C/C=C/C(=O)O.C=COC(=O)c1ccccc1C(C)(C)C.C=COC(C)=O

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
ATM Q13315 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.30
TNFRSF1A P19438 1/20 0.30
KDM4E B2RXH2 2/20 0.30
HSD17B10 Q99714 2/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
CYP3A4 P08684 1/20 0.30
ESR1 P03372 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
HMGB1 P09429 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 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
Fumaric Acid SCHEMBL7563314 0.88 SMN1; SMN2 (0.40) TDP1ATMHTTSMN1; SMN2ALDH1A1
Fumaric Acid SCHEMBL7563318 0.88 SMN1; SMN2 (0.40) TDP1ATMHTTSMN1; SMN2ALDH1A1
Acetic Acid SCHEMBL8519656 0.86 TDP1 (0.40) TDP1ATMALDH1A1TNFRSF1AKDM4E
SCHEMBL246897 0.84 TDP1 (0.40) TDP1ATMALDH1A1KDM4EHSD17B10
SCHEMBL27473151 0.82 KDM4E (0.42) TDP1ATMSMN1; SMN2ALDH1A1KDM4E
Vinyl Ether SCHEMBL23088820 0.80 TDP1 (0.37) TDP1ATMALDH1A1KDM4EHSD17B10
SCHEMBL380175 0.79
SCHEMBL7943458 0.75 GLRA3 (0.37) TDP1ATMALDH1A1KDM4EPOLB
Crotonic Acid SCHEMBL11864311 0.75 TSHR (0.33) TDP1ALDH1A1HSD17B10LMNATSHR
Crotonic Acid SCHEMBL158532 0.75 TSHR (0.33) TDP1ALDH1A1HSD17B10LMNATSHR

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
US-5830440-A Aqueous aerosol hair spray L'OREAL (FR) 1998-11-03 US disclosed