SCHEMBL6999435

SCHEMBL6999435

CC(=O)OCc1ccc(CCl)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 1/20 0.44
CYP3A4 P08684 1/20 0.39
NOTUM Q6P988 2/20 0.38
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
HSD17B10 Q99714 3/20 0.36
TSHR P16473 2/20 0.36
ABL1 P00519 1/20 0.36
GAA P10253 1/20 0.36
RIN1 Q13671 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPK1 P28482 2/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL2541634 0.90 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2HPGDCYP3A4NOTUM
SCHEMBL29219910 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDCYP3A4NOTUM
SCHEMBL257112 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDCYP3A4NOTUM
SCHEMBL10261585 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDCYP3A4NOTUM
SCHEMBL5856909 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDCYP3A4NOTUM
SCHEMBL17485847 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDCYP3A4NOTUM
SCHEMBL4140284 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDCYP3A4NOTUM
SCHEMBL3974470 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDCYP3A4KMT2A
SCHEMBL19220827 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HPGDCYP3A4NOTUM
SCHEMBL19940614 0.78 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDCYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920425-B1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2003-02-19 EP disclosed
CN-1098264-C Substituted 4- (1H-benzimidazol-2-yl-amino) piperidines for the treatment of allergic diseases AVENTIS PHARMA INC (US) 2003-01-08 CN disclosed
US-6211199-B1 HISTAMINE AND TACHYKININ RECEPTOR ANTAGONISTS; ANTIASTHMATICS, ANTIEMETICS; RESPIRATORY SYSTEM DISORDERS, INFLAMMATORY BOWEL DISEASE, CONJUNCTIVITIS AVENTIS PHARMACEUTICALS INC. 2001-04-03 US disclosed
EP-0920425-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-06-09 EP disclosed
CN-1202894-A Substituted 4-(1H-benzimidzol-2-yl-amino) piepridines useful for the treatment of allergic diseases HOECHST MARION ROUSSEL INC (US) 1998-12-23 CN disclosed
WO-1997019074-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-05-29 WO disclosed