SCHEMBL29930885

SCHEMBL29930885

COC(=O)c1cccc(OCc2ccccc2)c1OC

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.60
RAB9A P51151 2/20 0.60
KDM4E B2RXH2 2/20 0.53
SGMS2 Q8NHU3 2/20 0.52
HPGD P15428 2/20 0.52
LMNA P02545 1/20 0.52
PTGER1 P34995 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.50
RXRA P19793 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
BRD4 O60885 1/20 0.50
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49

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
SCHEMBL23611725 1.00 NPC1 (0.60) NPC1RAB9AKDM4ESGMS2HPGD
SCHEMBL1305662 0.93 HPGD (0.57) NPC1RAB9AKDM4ESGMS2HPGD
SCHEMBL6771236 0.89 NPC1 (0.60) NPC1RAB9AKDM4EHPGDLMNA
SCHEMBL23536856 0.88 PTGER1 (0.60) NPC1RAB9ASGMS2PTGER1MRGPRX4
SCHEMBL978857 0.86 HTT (0.64) NPC1SGMS2LMNAPTGER1ALDH1A1
SCHEMBL3511761 0.86 LMNA (0.63) NPC1RAB9AKDM4ESGMS2HPGD
SCHEMBL23611722 0.86 NPC1 (0.68) NPC1RAB9AKDM4ESGMS2LMNA
SCHEMBL29930700 0.86 NPC1 (0.68) NPC1RAB9AKDM4ESGMS2LMNA
SCHEMBL28862953 0.84 NPC1 (0.56) NPC1RAB9ASGMS2HPGDPTGER1
SCHEMBL5940976 0.84 SGMS2 (0.54) NPC1RAB9AKDM4ESGMS2HPGD

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-4085056-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER Berg LLC (US) 2022-11-09 EP disclosed
CN-115210229-A Polycyclic amides as UBE2K modulators for the treatment of cancer 博格有限责任公司 2022-10-18 CN disclosed