SCHEMBL8320997

SCHEMBL8320997

COc1ccc(SCC(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
GAA P10253 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.39
TRPM5 Q9NZQ8 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39

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
SCHEMBL28754525 0.78 GAA (0.54) MAPTGAAALDH1A1LMNACYP1A2
SCHEMBL342810 0.77 ALDH1A1 (0.53) MAPTGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL3480452 0.74 SMN1; SMN2 (0.48) MAPTGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL2499200 0.71 MAPT (0.60) MAPTGAASMN1; SMN2ALDH1A1LMNA
1,2-Dimethoxybenzene SCHEMBL8321002 0.70 SMN1; SMN2 (0.44) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL6660888 0.70 MAPT (0.47) MAPTGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL7534283 0.68 TYMS (0.42) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL1302701 0.68 HTT (0.47) MAPTGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL8471824 0.68 NPC1 (0.55) MAPTGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL9808295 0.68 KDM4E (0.45) MAPTGAAALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635018-B1 4-(1H-2-METHYLIMIDAZO[4,5-c]PYRIDINYLMETHYL)PHENYLSULPHONAMIDE DERIVATIVES AS ANTAGONISTS OF PAF BRITISH BIO TECHNOLOGY (GB) 1999-12-22 EP disclosed
US-5516783-A PLATELET ACTIVATING FACTOR BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-05-14 US disclosed
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