SCHEMBL9777797

SCHEMBL9777797

C[S+](C)c1ccccc1OC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FABP5 Q01469 3/20 0.46
▸ KMT2A Q03164 2/20 0.43
▸ FABP7 O15540 2/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CASP3 P42574 1/20 0.37
▸ POLB P06746 1/20 0.35
▸ ELANE P08246 1/20 0.34

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
SCHEMBL9647974 0.79 KMT2A (0.43) FABP5KMT2AFABP7EPHX2CA1
SCHEMBL44676 0.78 KMT2A (0.58) FABP5KMT2AFABP7EPHX2CA1
SCHEMBL10434602 0.76 HSD17B10 (0.43) KMT2APOLBELANE
SCHEMBL27143076 0.76 FABP5 (0.52) FABP5KMT2AFABP7EPHX2CA1
SCHEMBL15119354 0.75 KMT2A (0.60) FABP5KMT2AFABP7EPHX2CA1
SCHEMBL29996541 0.75 KMT2A (0.47) FABP5KMT2AFABP7EPHX2CA1
SCHEMBL1401611 0.75 KMT2A (0.47) FABP5KMT2AFABP7EPHX2CA1
SCHEMBL15058849 0.75 KMT2A (0.55) FABP5KMT2AFABP7EPHX2CA1
SCHEMBL20903881 0.74 KMT2A (0.51) FABP5KMT2AFABP7EPHX2CA1
SCHEMBL17167370 0.72 KMT2A (0.56) FABP5KMT2AFABP7EPHX2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1226868-A — — None — — JP disclosed
US-4990644-A Water solubility SANSHIN KAGAKU KOGYO CO. LTD. (JP) 1991-02-05 — — US disclosed
JP-H01226868-A SULFONIUM COMPOUND AND ACYLATING AGENT SANSHIN KAGAKU KOGYO KK 1989-09-11 — — JP disclosed
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