SCHEMBL9215599

SCHEMBL9215599

CC(CCO)Cc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 8/20 0.40
KMT2A Q03164 4/20 0.38
POLB P06746 3/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MAOB P27338 1/20 0.38
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL28468444 0.85 RAB9A (0.42) TRPA1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL16774819 0.83 ALDH1A1 (0.39) RAB9ANPC1ALDH1A1POLBMAPT
SCHEMBL9216970 0.81 ALDH1A1 (0.41) RAB9ANPC1ALDH1A1KMT2APOLB
SCHEMBL160524 0.79 MAOB (0.41) RAB9ANPC1ALDH1A1KMT2APOLB
SCHEMBL160525 0.79 MAOB (0.41) RAB9ANPC1ALDH1A1KMT2APOLB
Phosphonic Acid SCHEMBL8609417 0.78 RAB9A (0.39) RAB9ANPC1ALDH1A1KMT2APOLB
SCHEMBL4667275 0.78 ALOX5 (0.42) RAB9ANPC1ALDH1A1KMT2APOLB
SCHEMBL11078186 0.78 ALDH1A1 (0.36) RAB9ANPC1ALDH1A1KMT2APOLB
SCHEMBL23870570 0.77 MAPT (0.39) RAB9ANPC1ALDH1A1KMT2APOLB
SCHEMBL7994546 0.77 ALDH1A1 (0.37) RAB9ANPC1ALDH1A1KMT2APOLB

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-0635018-A1 4-(1H-2-METHYLIMIDAZO 4,5-c]PYRIDINYLMETHYL)PHENYLSULPHONAMIDE DERIVATIVES AS ANTAGONISTS OF PAF BRITISH BIO-TECHNOLOGY LIMITED (GB) 1995-01-25 EP disclosed
WO-1993016075-A1 4-(1H-2-METHYLIMIDAZO[4,5-c]PYRIDINYLMETHYL)PHENYLSULPHONAMIDE DERIVATIVES AS ANTAGONISTS OF PAF BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-08-19 WO disclosed