SCHEMBL16338482

SCHEMBL16338482

C/C(=C\CC(O)COc1ccccc1-c1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.53
ADRB1 P08588 1/20 0.53
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 8/20 0.47
MAPT P10636 2/20 0.46
ADRA1A P35348 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
PKM P14618 1/20 0.44
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43

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
SCHEMBL865587 1.00 ADRB2 (0.53) ADRB2ADRB1ALDH1A1SMN1; SMN2MEN1
SCHEMBL3198053 0.81 CYP1A2 (0.57) ADRB2ADRB1ALDH1A1SMN1; SMN2MEN1
SCHEMBL4351803 0.81 LMNA (0.49) ADRB2ADRB1ALDH1A1SMN1; SMN2MEN1
SCHEMBL131676 0.81 LMNA (0.49) ADRB2ADRB1ALDH1A1SMN1; SMN2MEN1
SCHEMBL19458776 0.79 KDM4E (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL450013 0.79 KDM4E (0.58) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL19458704 0.77 KDM4E (0.58) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL3179717 0.77 KMT2A (0.53) KMT2A
SCHEMBL7517347 0.77 KMT2A (0.53) KMT2A
SCHEMBL19458793 0.77 KDM4E (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E

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-20150005406-A1 URETHANE (METH)ACRYLATE AND MOISTURE-PROOF INSULATING COATING MATERIAL SHOWA DENKO K.K. (JP) 2015-01-01 US disclosed