SCHEMBL9621139

SCHEMBL9621139

CC(=O)Oc1ccc2c(c1)CC[C]=C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CA2 P00918 4/20 0.42
CA5A P35218 2/20 0.42
POLB P06746 2/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 3/20 0.40
CYP3A4 P08684 2/20 0.40
MEN1 O00255 1/20 0.40
TTR P02766 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
GLA P06280 2/20 0.39
ACHE P22303 2/20 0.39
ESR1 P03372 1/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL9620945 0.80 KMT2A (0.50) MAPTALDH1A1CA2POLBPKM
SCHEMBL9620793 0.79 MAOA (0.49) GAA
SCHEMBL9620861 0.78 TNFSF11 (0.38) MAPTSMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL9620964 0.75 KDM4E (0.51) MAPTSMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL9621262 0.75 NQO1 (0.41) MAPTALDH1A1POLBLMNAKDM4E
SCHEMBL9621104 0.74 SLC2A1 (0.40) MAPTALDH1A1CA2CA5AKDM4E
SCHEMBL9621003 0.73 MEN1 (0.38) MAPTALDH1A1CA2MEN1KMT2A
SCHEMBL9621156 0.71 MAOB (0.35) SMN1; SMN2POLBKDM4E
SCHEMBL9261533 0.70 ALOX15 (0.56) MAPTSMN1; SMN2CA2CA5APOLB
SCHEMBL3896033 0.70 SMN1; SMN2 (0.55) MAPTSMN1; SMN2ALDH1A1CA2CA5A

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-0284359-B1 1,4-DISUBSTITUTED PIPERAZINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-01-08 EP disclosed
EP-0369810-A2 PAF antagonists as anti-hyperendothelinemia agents Takeda Chemical Industries, Ltd. (JP) 1990-05-23 EP disclosed
EP-0368670-A1 Trisubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-05-16 EP disclosed
US-4880809-A HYPOTENSIVE AGENTS, AMIDE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 US disclosed
EP-0284359-A1 1,4-Disubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-09-28 EP disclosed