SCHEMBL4010438

SCHEMBL4010438

CC(=O)c1cccc(Cc2ccccc2Cl)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
PBRM1 Q86U86 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
SLC16A3 O15427 1/20 0.40
NR4A2 P43354 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ITGB1 P05556 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
SCHEMBL4360071 0.81 TSHR (0.45) L3MBTL1ALDH1A1LMNASMN1; SMN2TP53
SCHEMBL6640962 0.80 TSHR (0.53) ALDH1A1PBRM1LMNATSHRMEN1
SCHEMBL10386798 0.79 ALDH1A1 (0.49) L3MBTL1ALDH1A1PBRM1LMNASMN1; SMN2
SCHEMBL5455142 0.79 ALDH1A1 (0.61) L3MBTL1ALDH1A1TP53HTTTSHR
SCHEMBL27853749 0.78 ALDH1A1 (0.50) L3MBTL1ALDH1A1GAAPBRM1TSHR
SCHEMBL28214418 0.78 THRB (0.45) ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL11327561 0.76 HMGB1 (0.54) L3MBTL1ALDH1A1TP53HTTTSHR
SCHEMBL23708 0.76 FOLH1 (0.50) ALDH1A1SMN1; SMN2TSHRNR4A2FOLH1
SCHEMBL31090800 0.76 FOLH1 (0.50) ALDH1A1SMN1; SMN2TSHRNR4A2FOLH1
SCHEMBL29367715 0.76 FOLH1 (0.50) ALDH1A1SMN1; SMN2TSHRNR4A2FOLH1

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
WO-2009080744-A1 CRYSTALLINE FORM OF AZELASTINE Esteve Química, S.A. (ES) 2009-07-02 WO disclosed