SCHEMBL28865484

SCHEMBL28865484

C=Cc1ccccn1.O=C(O)/C=C(\C(=O)O)N1CCCC1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 1/20 0.34
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HSP90AA1 P07900 1/20 0.32
LMNA P02545 3/20 0.32
HPGDS O60760 1/20 0.32
GAA P10253 2/20 0.32
AVPR2 P30518 1/20 0.32
OXTR P30559 1/20 0.32
AVPR1A P37288 1/20 0.32
ALDH1A1 P00352 2/20 0.32
BLM P54132 2/20 0.32
IKBKB O14920 1/20 0.32
RAF1 P04049 1/20 0.32
RPS6KB1 P23443 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL1737650 0.78 LMNA (0.48) KDM4ESMN1; SMN2LMNAALDH1A1BLM
SCHEMBL28129585 0.78 LMNA (0.48) KDM4ESMN1; SMN2LMNAALDH1A1BLM
SCHEMBL1737652 0.78 LMNA (0.48) KDM4ESMN1; SMN2LMNAALDH1A1BLM
SCHEMBL4386763 0.75 RAB9A (0.39) RAB9AKDM4ESMN1; SMN2HDAC3HDAC1
Styrene SCHEMBL29134158 0.72 ALDH1A1 (0.36) RAB9AKDM4ESMN1; SMN2HDAC3HDAC1
Oxalic Acid SCHEMBL28603074 0.72 KMT2A (0.52) RAB9AKDM4ESMN1; SMN2HDAC3HDAC1
Oxalic Acid SCHEMBL28603075 0.72 KMT2A (0.52) RAB9AKDM4ESMN1; SMN2HDAC3HDAC1
Acrylic Acid SCHEMBL1302201 0.71 KMT2A (0.50) RAB9AKDM4ESMN1; SMN2HSP90AA1LMNA
Cyclopentanone SCHEMBL28852100 0.70 NPC1 (0.48) RAB9AKDM4ESMN1; SMN2HSP90AA1ALDH1A1
Maleic Acid SCHEMBL27932382 0.70 RAB9A (0.48) RAB9AKDM4ESMN1; SMN2HSP90AA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105188910-B Nitrogen-containing activated carbon adsorbents and methods of using same 能源及环境研究中心基金会 2018-10-19 CN claimed