SCHEMBL6583063

SCHEMBL6583063

COc1[nH]c2ccc(F)cc2c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
TUBA1A Q71U36 1/20 0.51
TUBA1C Q9BQE3 1/20 0.51
TUBB6 Q9BUF5 1/20 0.51
TUBB2B Q9BVA1 1/20 0.51
TUBB1 Q9H4B7 1/20 0.51
KDM4E B2RXH2 6/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44

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
SCHEMBL5857601 0.80 KEAP1 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7371534 0.78 KDM4E (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14265135 0.78 MAPT (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7311543 0.78 KDM4E (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3005928 0.76 TUBB4A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8889498 0.76 KEAP1 (0.50) KDM4EALDH1A1HPGDLMNATDP1
SCHEMBL15545957 0.75 PTGS2 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9232256 0.73 KEAP1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5236009 0.73 NR4A2 (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6295691 0.72 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815080-B1 DI-SUBSTITUTED 1,4-PIPERIDINE ESTERS AND AMIDES HAVING 5-HT4 ANTAGONISTIC ACTIVITY BOEHRINGER INGELHEIM ITALIA (IT) 2004-06-16 EP disclosed
US-6002009-A Di-substituted 1,4-piperidine esters and amides having 5-HT4 antagonistic activity BOEHRINGER INGELHEIM ITALIA, S.P.A. (IT) 1999-12-14 US disclosed
EP-0815080-A1 DI-SUBSTITUTED 1,4-PIPERIDINE ESTERS AND AMIDES HAVING 5-HT 4? ANTAGONISTIC ACTIVITY BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1998-01-07 EP disclosed
WO-1996028424-A1 DI-SUBSTITUTED 1,4-PIPERIDINE ESTERS AND AMIDES HAVING 5-HT4 ANTAGONISTIC ACTIVITY BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1996-09-19 WO disclosed
CN-1083059-A The indoles that 3-piperidine methyl carboxylicesters replaces GLAXO GROUP LTD (GB) 1994-03-02 CN disclosed