SCHEMBL7356996

SCHEMBL7356996

CC(C)(C)c1cc(C(=O)CCCCCBr)cc(C(C)(C)C)c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.64
PTGS1 P23219 4/20 0.64
ALOX5 P09917 3/20 0.64
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RECQL P46063 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
VCAM1 P19320 2/20 0.44
F2R P25116 3/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 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
SCHEMBL7348363 1.00 PTGS2 (0.64) PTGS2PTGS1ALOX5MEN1KMT2A
SCHEMBL7352493 1.00 PTGS2 (0.64) PTGS2PTGS1ALOX5MEN1KMT2A
SCHEMBL1926015 0.88 ALOX5 (0.60) PTGS2PTGS1ALOX5MEN1KMT2A
SCHEMBL25760152 0.87 PTGS2 (0.64) PTGS2PTGS1ALOX5MEN1KMT2A
SCHEMBL27783447 0.87 PTGS2 (0.64) PTGS2PTGS1ALOX5MEN1KMT2A
SCHEMBL23293040 0.87 PTGS2 (0.64) PTGS2PTGS1ALOX5MEN1KMT2A
SCHEMBL13840643 0.87 PTGS2 (0.64) PTGS2PTGS1ALOX5MEN1KMT2A
SCHEMBL27392264 0.86 PTGS2 (0.62) PTGS2PTGS1ALOX5MEN1KMT2A
SCHEMBL27411148 0.86 PTGS2 (0.62) PTGS2PTGS1ALOX5MEN1KMT2A
SCHEMBL9359469 0.85 PTGS2 (0.66) PTGS2PTGS1ALOX5MEN1KMT2A

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-0675883-A1 PIPERIDINE DERIVATIVES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-11 EP disclosed
WO-1994014786-A1 PIPERIDINE DERIVATIVES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO disclosed