SCHEMBL10334138

SCHEMBL10334138

COC(=O)c1cc(/N=C/c2ccccc2)ccc1OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.58
CA2 P00918 4/20 0.58
PTGS2 P35354 5/20 0.53
PTGS1 P23219 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 4/20 0.42
ESR1 P03372 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
HMGB1 P09429 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
GGT1 P19440 1/20 0.42
BLM P54132 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL10334139 1.00 CA1 (0.58) CA1CA2PTGS2PTGS1SMN1; SMN2
SCHEMBL10334271 0.87 EGFR (0.48) CA1CA2PTGS2PTGS1SMN1; SMN2
SCHEMBL10334272 0.87 EGFR (0.48) CA1CA2PTGS2PTGS1SMN1; SMN2
SCHEMBL10334090 0.82 PTGS2 (0.71) CA1CA2PTGS2PTGS1RAB9A
SCHEMBL10334089 0.82 PTGS2 (0.71) CA1CA2PTGS2PTGS1RAB9A
SCHEMBL28052984 0.77 MAPT (0.49) CA1CA2PTGS2PTGS1SMN1; SMN2
SCHEMBL10695116 0.74 CA2 (0.59) CA1CA2PTGS2SMN1; SMN2RAB9A
SCHEMBL10354505 0.74 CA2 (1.00) CA1CA2PTGS2PTGS1SMN1; SMN2
SCHEMBL20219231 0.74 CA2 (1.00) CA1CA2PTGS2PTGS1SMN1; SMN2
SCHEMBL10695121 0.74 CA2 (0.59) CA1CA2PTGS2SMN1; SMN2RAB9A

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-4933330-A PSORIASIS DAK-LABORATORIET (DK) 1990-06-12 US disclosed
EP-0291159-A2 Aminosalicylic-acid derivatives for the treatment of psoriasis DAK-LABORATORIET A/S (DK) 1988-11-17 EP disclosed