SCHEMBL9110384

SCHEMBL9110384

[CH2]C/C=C/c1cccc(CC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.42
MEF2D Q14814 1/20 0.42
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
TP53 P04637 1/20 0.37
DHODH Q02127 1/20 0.36
MGLL Q99685 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BCL2 P10415 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
PKM P14618 1/20 0.33
PTGS2 P35354 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL9109996 1.00 HDAC4 (0.42) HDAC4MEF2DCYP4F2CYP4A11TP53
SCHEMBL16167528 0.85 HDAC4 (0.43) HDAC4MEF2DCYP4F2CYP4A11TP53
SCHEMBL16167524 0.85 HDAC4 (0.43) HDAC4MEF2DCYP4F2CYP4A11TP53
SCHEMBL10858214 0.81 ALDH1A1 (0.47) HDAC4MEF2DCYP4F2CYP4A11TP53
SCHEMBL29239895 0.81 HDAC4 (0.42) HDAC4MEF2DCYP4F2CYP4A11TP53
SCHEMBL10987751 0.81 HDAC4 (0.43) HDAC4MEF2DCYP4F2CYP4A11TP53
SCHEMBL29674000 0.80 HDAC4 (0.49) HDAC4MEF2DTP53DHODHPTGS2
SCHEMBL318201 0.80 HDAC4 (0.49) HDAC4MEF2DTP53DHODHPTGS2
SCHEMBL318202 0.80 HDAC4 (0.49) HDAC4MEF2DTP53DHODHPTGS2
SCHEMBL30641423 0.79 HDAC4 (0.40) HDAC4MEF2DCYP4F2CYP4A11TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed