SCHEMBL29584084

SCHEMBL29584084

COc1cc(-c2cc(C(=O)N3CCC(C(=O)NCc4cc(Cl)ccc4F)CC3)n[nH]2)c(Cl)cn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 7/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SMO Q99835 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM5A P29375 2/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 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
SCHEMBL24423942 1.00 EPHX2 (0.41) EPHX2CA12CA1CA2CA9
SCHEMBL24424624 0.90 EPHX2 (0.39) EPHX2SMOMEN1KMT2AKDM5A
SCHEMBL29583439 0.90 SMO (0.42) EPHX2CA12CA1CA2CA9
SCHEMBL24423552 0.90 SMO (0.42) EPHX2CA12CA1CA2CA9
SCHEMBL24424000 0.90 EPHX2 (0.44) EPHX2CA12CA1CA2CA9
SCHEMBL29583211 0.90 SMO (0.43) EPHX2CA12CA1CA2CA9
SCHEMBL24423840 0.90 SMO (0.43) EPHX2CA12CA1CA2CA9
SCHEMBL29585357 0.88 EPHX2 (0.41) EPHX2SMOMEN1KMT2AKDM5A
SCHEMBL29243537 0.88 EPHX2 (0.41) EPHX2SMOMEN1KMT2AKDM5A
SCHEMBL24423857 0.88 EPHX2 (0.39) EPHX2CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4240736-A1 PPAR GAMMA MODULATORS AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2023-09-13 — — EP claimed
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 — — WO claimed
EP-4240736-A1 PPAR GAMMA MODULATORS AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2023-09-13 — — EP disclosed
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 — — WO disclosed
Send feedback