SCHEMBL9736600

SCHEMBL9736600

C=CCc1ccc(C(=O)Oc2ccc(O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP3A4 P08684 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
PRSS1 P07477 3/20 0.43
F2 P00734 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
ACR P10323 1/20 0.43
PTPN1 P18031 2/20 0.42

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
SCHEMBL9734037 1.00 MEN1 (0.49) MEN1KMT2ACYP3A4TDP1L3MBTL1
SCHEMBL9297822 0.94 CYP3A4 (0.52) MEN1KMT2ACYP3A4TDP1L3MBTL1
SCHEMBL9736464 0.88 CYP3A4 (0.47) MEN1KMT2ACYP3A4TDP1L3MBTL1
SCHEMBL9734980 0.88 CYP3A4 (0.47) MEN1KMT2ACYP3A4TDP1L3MBTL1
SCHEMBL8727871 0.87 KMT2A (0.50) MEN1KMT2ACYP3A4TDP1L3MBTL1
SCHEMBL9305417 0.86 KMT2A (0.51) MEN1KMT2ACYP3A4TDP1L3MBTL1
SCHEMBL9303606 0.86 SMN1; SMN2 (0.67) MEN1KMT2ACYP3A4TDP1L3MBTL1
SCHEMBL9303582 0.86 SMN1; SMN2 (0.67) MEN1KMT2ACYP3A4TDP1L3MBTL1
SCHEMBL11013802 0.86 KMT2A (0.58) MEN1KMT2ACYP3A4TDP1L3MBTL1
SCHEMBL4284968 0.86 KMT2A (0.62) MEN1KMT2ACYP3A4TDP1L3MBTL1

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