SCHEMBL10524719

SCHEMBL10524719

COc1ccc2c(c1)c(CC(=O)OC(C)(C)CN1CCN(CCCO)CC1)c(C)n2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 17/20 0.63
▸ AKR1C3 P42330 2/20 0.63
▸ CNR2 P34972 1/20 0.63
▸ PTGS1 P23219 5/20 0.61
▸ HRH4 Q9H3N8 1/20 0.61
▸ LMNA P02545 2/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.59
▸ GLO1 Q04760 2/20 0.59
▸ HIF1A Q16665 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ PTGES O14684 1/20 0.59
▸ ABCC3 O15438 1/20 0.59
▸ ABCC4 O15439 1/20 0.59
▸ ABCB11 O95342 1/20 0.59
▸ MT-CO2 P00403 1/20 0.59
▸ ALB P02768 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ ABCB1 P08183 1/20 0.59
▸ ALOX5 P09917 1/20 0.59

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
SCHEMBL10880869 0.88 PTGS2 (0.62) PTGS2AKR1C3CNR2PTGS1HRH4
SCHEMBL10524337 0.85 PTGS2 (0.69) PTGS2AKR1C3CNR2PTGS1HRH4
SCHEMBL8686349 0.82 PTGS2 (0.81) PTGS2AKR1C3CNR2PTGS1LMNA
SCHEMBL10525346 0.82 PTGS2 (0.67) PTGS2AKR1C3CNR2PTGS1HRH4
SCHEMBL10526684 0.82 PTGS2 (0.67) PTGS2AKR1C3CNR2PTGS1HRH4
SCHEMBL10526172 0.81 PTGS2 (0.62) PTGS2AKR1C3CNR2PTGS1HRH4
SCHEMBL23135704 0.80 PTGS2 (0.77) PTGS2AKR1C3CNR2PTGS1LMNA
SCHEMBL6754016 0.80 PTGS2 (0.88) PTGS2AKR1C3CNR2PTGS1HRH4
SCHEMBL10526127 0.79 PTGS2 (0.60) PTGS2AKR1C3CNR2PTGS1HRH4
SCHEMBL11092811 0.79 PTGS2 (0.88) PTGS2AKR1C3CNR2PTGS1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0188803-B1 PIPERAZINE DERIVATIVE TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-06-07 — — EP disclosed
US-4696929-A Derivative of piperazine having anti-allergic and anti-inflammatory action TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1987-09-29 — — US disclosed
EP-0188803-A1 Piperazine derivative TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1986-07-30 — — EP disclosed
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