SCHEMBL4030058

SCHEMBL4030058

O=C(Cl)c1ccc(OCc2ccccc2)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.50
MAPT P10636 3/20 0.50
MRGPRX4 Q96LA9 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
SGMS2 Q8NHU3 2/20 0.49
FOLH1 Q04609 1/20 0.48
CHRM4 P08173 1/20 0.47
CHRM3 P20309 1/20 0.47
CLCN2 P51788 1/20 0.47
ALDH1A1 P00352 2/20 0.46
PTGER1 P34995 1/20 0.46
GLRA1 P23415 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SRD5A2 P31213 1/20 0.45

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
SCHEMBL27823508 0.87 FOLH1 (0.57) L3MBTL1MAPTMRGPRX4SMN1; SMN2CYP2C9
SCHEMBL9169708 0.84 L3MBTL1 (0.50) L3MBTL1MAPTMRGPRX4SMN1; SMN2CYP2C9
SCHEMBL30147524 0.84 MAPT (0.65) L3MBTL1MAPTMRGPRX4SMN1; SMN2CYP2C9
SCHEMBL18428699 0.84 MAPT (0.65) L3MBTL1MAPTMRGPRX4SMN1; SMN2CYP2C9
SCHEMBL9808151 0.83 ALDH1A1 (0.55) L3MBTL1MAPTMRGPRX4SMN1; SMN2CYP2C9
SCHEMBL18428719 0.82 HPGDS (0.64) L3MBTL1MAPTMRGPRX4SMN1; SMN2CYP2C9
SCHEMBL514323 0.81 L3MBTL1 (0.50) L3MBTL1MAPTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL416462 0.81 MAPT (0.57) L3MBTL1MAPTMRGPRX4SMN1; SMN2CYP2C19
SCHEMBL29380769 0.81 MAPT (0.57) L3MBTL1MAPTMRGPRX4SMN1; SMN2CYP2C19
SCHEMBL5232608 0.81 CNR2 (0.53) L3MBTL1MAPTSMN1; SMN2CYP2C9CNR1

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-2029535-A1 ISOINDOLE DERIVATIVES USEFUL FOR TREATING PAIN, GASTROINTESTINAL DISEASES AND CANCER AstraZeneca AB (SE) 2009-03-04 EP disclosed
WO-2007139464-A1 ISOINDOLE DERIVATIVES USEFUL FOR TREATING PAIN, GASTROINTESTINAL DISEASES AND CANCER ASTRAZENECA AB (SE) 2007-12-06 WO disclosed