SCHEMBL4600777

SCHEMBL4600777

Nc1ccc(C(O)CC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ GABBR2 O75899 4/20 0.42
▸ GABBR1 Q9UBS5 4/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ GRM8 O00222 1/20 0.41

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
SCHEMBL5864212 0.81 TAAR1 (0.54) SMN1; SMN2TDP1CYP2C9LMNACYP2D6
SCHEMBL4483465 0.81 TAAR1 (0.54) SMN1; SMN2TDP1CYP2C9LMNACYP2D6
SCHEMBL4483463 0.81 TAAR1 (0.54) SMN1; SMN2TDP1CYP2C9LMNACYP2D6
SCHEMBL2386276 0.81 GABBR2 (0.57) POLBSMN1; SMN2TDP1GABBR2GABBR1
SCHEMBL186610 0.80 GABBR2 (0.55) SMN1; SMN2GABBR2GABBR1LMNACYP2D6
SCHEMBL904490 0.80 GABBR2 (0.55) SMN1; SMN2GABBR2GABBR1LMNACYP2D6
SCHEMBL904476 0.80 GABBR2 (0.55) SMN1; SMN2GABBR2GABBR1LMNACYP2D6
SCHEMBL31037721 0.80 CYP2C19 (0.45) POLBTDP1GABBR2GABBR1CYP2C9
SCHEMBL8770912 0.79 KMT2A (0.42) MEN1KMT2ACYP1A2CNR2
SCHEMBL1503961 0.79 GABBR2 (0.59) POLBGABBR2GABBR1CYP2C9LMNA

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-1910270-A2 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD Giuliani International Limited (IE) 2008-04-16 — — EP disclosed
WO-2007010516-A2 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD GIULIANI INTERNATIONAL LIMITED (IE) 2007-01-25 — — WO disclosed
Send feedback