SCHEMBL4360071

SCHEMBL4360071

CC(=O)c1cccc(Cc2ccc(Cl)cc2)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
NR4A1 P22736 1/20 0.44
LDHA P00338 1/20 0.43
LDHB P07195 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 5/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
VDR P11473 1/20 0.41
PTPN1 P18031 1/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 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
SCHEMBL4010438 0.81 L3MBTL1 (0.46) TSHRALDH1A1L3MBTL1LMNAMEN1
SCHEMBL4905340 0.78 TSHR (0.72) TSHRNR4A1ALDH1A1CYP1A2CYP3A4
SCHEMBL4844133 0.77 TSHR (0.53) TSHRNR4A1ALDH1A1CYP1A2CYP3A4
SCHEMBL200212 0.76 TSHR (0.59) TSHRALDH1A1PTPN1FOLH1
SCHEMBL7781040 0.76 TSHR (0.51) TSHRNR4A1ALDH1A1CYP1A2CYP3A4
SCHEMBL343520 0.74 TSHR (0.57) TSHRALDH1A1PTPN1FOLH1
SCHEMBL31258255 0.74 L3MBTL1 (0.54) TSHRALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL28094825 0.73 PTPN1 (0.43) TSHRALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL28214418 0.73 THRB (0.45) ALDH1A1CYP2C9LMNAKMT2ASMN1; SMN2
SCHEMBL598165 0.73 CA12 (0.48) TSHRNR4A1ALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2072510-A1 Crystalline form of azelastine ESTEVE QUIMICA, S.A. (ES) 2009-06-24 EP disclosed