SCHEMBL8943176

SCHEMBL8943176

C=C(C(=O)OCc1ccccc1)C(C=Cc1ccccc1)C=C(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
ALDH1A1 P00352 3/20 0.42
AKR1B10 O60218 2/20 0.40
AKR1B1 P15121 2/20 0.40
CA12 O43570 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
CNR2 P34972 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP3A4 P08684 1/20 0.37
AKR1C3 P42330 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL35354 0.89 CASP1 (0.47) LMNAALDH1A1ADORA3CYP3A4AKR1C3
SCHEMBL4955015 0.85 ALDH1A1 (0.43) LMNAALDH1A1CNR2CYP3A4AKR1C3
SCHEMBL7970680 0.83 MGLL (0.45) ALDH1A1CYP3A4
SCHEMBL11317319 0.83 KDM4E (0.43) LMNAALDH1A1CYP3A4TP53MAPT
SCHEMBL8741158 0.83 AKR1C3 (0.46) LMNAALDH1A1CNR2CYP3A4AKR1C3
SCHEMBL5483467 0.83 LMNA (0.51) LMNAALDH1A1AKR1B10AKR1B1CA12
SCHEMBL35752 0.81 ALDH1A1 (0.41) LMNAALDH1A1CA12CA9ADORA3
Acrylic Acid SCHEMBL9169082 0.81 ALDH1A1 (0.39) LMNAALDH1A1CNR2CYP3A4AKR1C3
Acrylic Acid Ethyl Ester SCHEMBL5931095 0.79 ALDH1A1 (0.38) LMNAALDH1A1CA12CA7CA9
Methacrylic Acid SCHEMBL17508528 0.79 LMNA (0.46) LMNAALDH1A1AKR1B10AKR1B1CA12

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-5582942-A BINDER RESIN COMPRISES A COPOLYMER INCLUDING A (METH)ACRYLIC ACID ESTER CONTAINING AN AROMATIC RING AND A VINYL MONOMER HAVING ONE TO THREE ACID FUNCTIONAL GROUPS FUJI PHOTO FILM CO., LTD. (JP) 1996-12-10 US disclosed