SCHEMBL9734980

SCHEMBL9734980

C=CCc1ccc(OC(=O)c2ccc([O])cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
PRSS1 P07477 4/20 0.43
F2 P00734 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
ACR P10323 1/20 0.43
HSD17B10 Q99714 1/20 0.42
TMPRSS2 O15393 1/20 0.42
KLK1 P06870 1/20 0.42
PARP10 Q53GL7 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
SCHEMBL9736464 1.00 CYP3A4 (0.47) CYP3A4KMT2AMEN1TDP1L3MBTL1
SCHEMBL9297822 0.94 CYP3A4 (0.52) CYP3A4KMT2AMEN1TDP1L3MBTL1
SCHEMBL9736600 0.88 MEN1 (0.49) CYP3A4KMT2AMEN1TDP1L3MBTL1
SCHEMBL9734037 0.88 MEN1 (0.49) CYP3A4KMT2AMEN1TDP1L3MBTL1
SCHEMBL9305417 0.86 KMT2A (0.51) CYP3A4KMT2AMEN1TDP1L3MBTL1
SCHEMBL9303606 0.86 SMN1; SMN2 (0.67) CYP3A4KMT2AMEN1TDP1L3MBTL1
SCHEMBL9303582 0.86 SMN1; SMN2 (0.67) CYP3A4KMT2AMEN1TDP1L3MBTL1
SCHEMBL11013802 0.86 KMT2A (0.58) CYP3A4KMT2AMEN1TDP1L3MBTL1
SCHEMBL4284968 0.86 KMT2A (0.62) CYP3A4KMT2AMEN1TDP1L3MBTL1
SCHEMBL9304692 0.84 KMT2A (0.53) CYP3A4KMT2AMEN1TDP1L3MBTL1

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
US-5149462-A Used as ferroelectric liquid crystal MITSUBISHI RAYON COMPANY LTD. (JP) 1992-09-22 US disclosed
EP-0409066-A2 Optically active compound for liquid crystal and its use MITSUBISHI RAYON COMPANY, LTD. (JP) 1991-01-23 EP disclosed