SCHEMBL9501192

SCHEMBL9501192

O=C(N[C@H](C(=O)OCc1ccccc1)C(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.46
CTSS P25774 3/20 0.46
CTSB P07858 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ACHE P22303 1/20 0.43
CTRB1 P17538 2/20 0.43
CTSK P43235 1/20 0.43

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
SCHEMBL9501314 0.93 TRPM8 (0.49) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL10363640 0.93 TRPM8 (0.49) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL10039872 0.93 CTSL (0.46) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL7309373 0.93 CTSL (0.46) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL7311447 0.93 CTSL (0.46) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL10005610 0.93 CTSL (0.46) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL2116716 0.93 CTSL (0.46) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL10362770 0.92 HTT (0.46) CTSLCTSSCA1CA2ACHE
Hydroxyamine SCHEMBL7320373 0.91 F2 (0.45) CTSLCTSSCTSBCA1CA2
Hydroxyamine SCHEMBL7320378 0.91 F2 (0.45) CTSLCTSSCTSBCA1CA2

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
EP-0375554-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE THREO-DIHYDROXYPHENYLSERINE DERIVATIVES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1993-05-05 EP disclosed
EP-0375554-A2 Process for producing optically active threo-dihydroxyphenylserine derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-06-27 EP disclosed