SCHEMBL9683516

SCHEMBL9683516

O=C(Oc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1)c1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.69
MEN1 O00255 2/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
HTT P42858 1/20 0.62
ALDH1A1 P00352 1/20 0.59
ALOX15 P16050 2/20 0.59
HSD17B10 Q99714 1/20 0.57
PARP10 Q53GL7 1/20 0.55
ELANE P08246 1/20 0.55
MAPT P10636 4/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.53
F2 P00734 1/20 0.53
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
CYP11B1 P15538 1/20 0.51

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
SCHEMBL10599787 1.00 KMT2A (0.69) KMT2AMEN1SMN1; SMN2HTTALDH1A1
SCHEMBL28003430 1.00 KMT2A (0.69) KMT2AMEN1SMN1; SMN2HTTALDH1A1
SCHEMBL610755 1.00 KMT2A (0.69) KMT2AMEN1SMN1; SMN2HTTALDH1A1
SCHEMBL3149936 0.94 KMT2A (0.63) KMT2AMEN1SMN1; SMN2HTTALDH1A1
SCHEMBL10599791 0.92 ALOX15 (0.65) KMT2AMEN1SMN1; SMN2HTTALDH1A1
SCHEMBL8718766 0.92 ALOX15 (0.65) KMT2AMEN1SMN1; SMN2HTTALDH1A1
SCHEMBL532864 0.92 KMT2A (0.61) KMT2AMEN1SMN1; SMN2HTTALDH1A1
SCHEMBL1975085 0.92 KMT2A (0.61) KMT2AMEN1SMN1; SMN2HTTALDH1A1
SCHEMBL20842403 0.90 KMT2A (0.59) KMT2AMEN1SMN1; SMN2HTTALDH1A1
SCHEMBL11648001 0.90 KMT2A (0.61) KMT2AMEN1SMN1; SMN2HTTALDH1A1

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-5089590-A LIQUID CRYSTALLINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS MODIFIERS FOR POLYCARBONATES, POLYESTER CARBONATES AND POLYESTERS BAYER AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-5084549-A Aromatic polyesters as thermoplastic molding materials BAYER AKTIENGESELLSCHAFT (DE) 1992-01-28 US disclosed