SCHEMBL11047694

SCHEMBL11047694

O=C(NC(C(=O)O)C(O)c1ccc2c(c1)OC2)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.43
CTSS P25774 2/20 0.43
ROCK2 O75116 1/20 0.43
CAPN1 P07384 1/20 0.43
ALDH1A1 P00352 2/20 0.42
ATM Q13315 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
CASP1 P29466 1/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
CASP6 P55212 1/20 0.41
CASP8 Q14790 1/20 0.41
CYP1A2 P05177 1/20 0.41
CTSB P07858 2/20 0.41
CTSK P43235 2/20 0.41

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
SCHEMBL10941915 0.90 CTSL (0.41) CTSLCTSSCAPN1ALDH1A1ATM
SCHEMBL10941996 0.90 CTSL (0.41) CTSLCTSSCAPN1ALDH1A1ATM
SCHEMBL10938858 0.90 CTSL (0.41) CTSLCTSSCAPN1ALDH1A1ATM
SCHEMBL19625532 0.86 NPC1 (0.58) CTSLCTSSCAPN1ALDH1A1ATM
SCHEMBL10940868 0.86 NPC1 (0.58) CTSLCTSSCAPN1ALDH1A1ATM
SCHEMBL7439246 0.86 NPC1 (0.58) CTSLCTSSCAPN1ALDH1A1ATM
SCHEMBL7429787 0.86 NPC1 (0.58) CTSLCTSSCAPN1ALDH1A1ATM
SCHEMBL16587917 0.80 CTSL (0.54) CTSLCTSSALDH1A1ATMSMN1; SMN2
SCHEMBL9830850 0.80 CTSL (0.54) CTSLCTSSALDH1A1ATMSMN1; SMN2
SCHEMBL9830841 0.80 CTSL (0.54) CTSLCTSSALDH1A1ATMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4480109-A Process for producing threo-3-(3,4-dihydroxyphenyl)serine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-10-30 US claimed