SCHEMBL9501314

SCHEMBL9501314

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ACHE P22303 1/20 0.47
CTSL P07711 3/20 0.47
CTSS P25774 3/20 0.47
PPARG P37231 1/20 0.46
F2 P00734 2/20 0.46
F10 P00742 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
F7 P08709 2/20 0.46
F3 P13726 2/20 0.46
PRSS3 P35030 2/20 0.46
CTSB P07858 2/20 0.45
CTSK P43235 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
SMPD1 P17405 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL10363640 1.00 TRPM8 (0.49) TRPM8CA1CA2ACHECTSL
SCHEMBL9501192 0.93 CTSL (0.46) CA1CA2ACHECTSLCTSS
SCHEMBL10005610 0.91 CTSL (0.46) CA1CA2ACHECTSLCTSS
SCHEMBL7309373 0.91 CTSL (0.46) CA1CA2ACHECTSLCTSS
SCHEMBL2116716 0.91 CTSL (0.46) CA1CA2ACHECTSLCTSS
SCHEMBL10039872 0.91 CTSL (0.46) CA1CA2ACHECTSLCTSS
SCHEMBL7311447 0.91 CTSL (0.46) CA1CA2ACHECTSLCTSS
SCHEMBL10806439 0.90 CTSL (0.47) CA1CA2ACHECTSLCTSS
Hydroxyamine SCHEMBL7320373 0.89 F2 (0.45) CA1CA2ACHECTSLCTSS
Hydroxyamine SCHEMBL7320378 0.89 F2 (0.45) CA1CA2ACHECTSLCTSS

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 5 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-0185814-B1 PHENYLSERINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-08-29 EP disclosed
EP-0375554-A2 Process for producing optically active threo-dihydroxyphenylserine derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-06-27 EP disclosed
US-4695580-A Phenylserine derivatives and processes for preparing the same SUMITOMO PHARMACEUTICALS COMPANY, LTD. (JP) 1987-09-22 US disclosed
EP-0185814-A2 Phenylserine derivatives and processes for their preparation SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-07-02 EP disclosed