SCHEMBL11378481

SCHEMBL11378481

C=CCc1ccccc1OC(=O)c1ccccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 4/20 0.49
HPGD P15428 3/20 0.49
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP3A4 P08684 2/20 0.45
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 2/20 0.42
ELANE P08246 1/20 0.41
FOLH1 Q04609 1/20 0.41
ESR1 P03372 1/20 0.41
ITGB3 P05106 1/20 0.41

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
SCHEMBL11302394 0.89 KDM4E (0.45) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL2052137 0.85 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL7712284 0.84 KDM4E (0.55) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL4284963 0.83 KMT2A (0.58) KDM4EALDH1A1HSD17B10LMNACYP1A2
SCHEMBL31112624 0.83 KMT2A (0.58) KDM4EALDH1A1HSD17B10LMNACYP1A2
SCHEMBL22171706 0.82 KDM4E (0.42) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL3264286 0.82 HTT (0.53) KDM4EALDH1A1HSD17B10HPGDTP53
SCHEMBL12227226 0.81 KMT2A (0.52) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL5157619 0.81 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL861238 0.81 KDM4E (0.51) KDM4EALDH1A1LMNACYP1A2TDP1

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-4308180-A TIRE TREADS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-12-29 US disclosed