SCHEMBL7005248

SCHEMBL7005248

CCOC(=O)c1[nH]c(Cc2ccccc2)c(C(=O)OCC)c1O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 1/20 0.52
ALOX5 P09917 13/20 0.50
PTGES O14684 5/20 0.50
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL7006136 0.84 RAB9A (0.52) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL11274206 0.80 RAB9A (0.56) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL11553029 0.79 ALOX5 (0.54) SMN1; SMN2ALOX5PTGESKDM4E
SCHEMBL7826782 0.76 ALOX5 (0.81) KMT2AALDH1A1HPGDGAAALOX5
SCHEMBL13495321 0.76 SMN1; SMN2 (0.53) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3262242 0.75 SMN1; SMN2 (0.56) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9696908 0.73 ALOX5 (0.56) KMT2AALDH1A1HPGDGAAALOX5
SCHEMBL27951349 0.73 SMN1; SMN2 (0.53) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4701791 0.73 ALDH1A1 (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL7114817 0.73 RAB9A (0.64) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1

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-1363910-A2 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2003-11-26 EP disclosed
WO-2002040486-A2 METHODS OF TREATING p38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-05-23 WO disclosed