SCHEMBL28891768

SCHEMBL28891768

O=C(/C=C\c1ccccc1)NC1CCCCC1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.73
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
ALDH1A1 P00352 3/20 0.60
LMNA P02545 1/20 0.59
MAOB P27338 2/20 0.59
DRD2 P14416 1/20 0.59
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
HTR2B P41595 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
POLB P06746 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
KDM4E B2RXH2 1/20 0.58
HTT P42858 1/20 0.57
GAA P10253 1/20 0.57

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
SCHEMBL28456976 1.00 CYP1A2 (0.73) CYP1A2NPC1RAB9AALDH1A1LMNA
SCHEMBL13169532 1.00 CYP1A2 (0.73) CYP1A2NPC1RAB9AALDH1A1LMNA
SCHEMBL692583 0.98 CYP1A2 (0.70) CYP1A2NPC1RAB9AALDH1A1LMNA
SCHEMBL692584 0.98 CYP1A2 (0.70) CYP1A2NPC1RAB9AALDH1A1LMNA
SCHEMBL7040433 0.92 DRD2 (0.63) CYP1A2NPC1RAB9AALDH1A1MAOB
SCHEMBL21593634 0.92 DRD2 (0.63) CYP1A2NPC1RAB9AALDH1A1MAOB
SCHEMBL7040434 0.92 DRD2 (0.63) CYP1A2NPC1RAB9AALDH1A1MAOB
SCHEMBL15418864 0.86 DRD2 (0.57) CYP1A2NPC1RAB9ALMNAMAOB
SCHEMBL8756481 0.86 CYP1A2 (0.76) CYP1A2NPC1RAB9AALDH1A1MAOB
SCHEMBL15418866 0.86 DRD2 (0.57) CYP1A2NPC1RAB9ALMNAMAOB

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
CN-115197037-B Preparation method of acrylamide and triazole-enamide alternating copolymer 大连理工大学 2023-11-28 CN disclosed
CN-115197037-A Preparation method of acrylamide and triazole-enamide alternating copolymer 大连理工大学 2022-10-18 CN disclosed