SCHEMBL10526302

SCHEMBL10526302

COc1ccc2c(c1)c(CC(=O)OC(C)CN1CCN(CCCCCOC3CCCCO3)CC1)c(C)n2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 16/20 0.57
▸ CNR2 P34972 3/20 0.52
▸ CNR1 P21554 1/20 0.52
▸ AKR1C3 P42330 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ GMNN O75496 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ KMT2A Q03164 1/20 0.51

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
SCHEMBL10524213 1.00 PTGS2 (0.57) PTGS2CNR2CNR1AKR1C3MEN1
SCHEMBL10524488 0.91 PTGS2 (0.54) PTGS2CNR2CNR1AKR1C3
SCHEMBL10817893 0.90 LMNA (0.49) PTGS2MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL10816176 0.89 PTGS2 (0.60) PTGS2CNR2CNR1AKR1C3PKM
SCHEMBL10526684 0.86 PTGS2 (0.67) PTGS2CNR2AKR1C3MEN1CYP1A2
SCHEMBL10525346 0.86 PTGS2 (0.67) PTGS2CNR2AKR1C3MEN1CYP1A2
SCHEMBL10524337 0.85 PTGS2 (0.69) PTGS2CNR2AKR1C3MEN1CYP1A2
SCHEMBL10526360 0.83 PTGS2 (0.61) PTGS2CNR2CNR1AKR1C3MEN1
SCHEMBL10526127 0.76 PTGS2 (0.60) PTGS2CNR2AKR1C3MEN1CYP1A2
SCHEMBL11021973 0.75 PTGS2 (0.67) PTGS2CNR2AKR1C3MEN1GMNN

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
Send feedback