SCHEMBL23912452

SCHEMBL23912452

CCCCCCCN1C=CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.38
GNAO1 P09471 3/20 0.38
GNAI1 P63096 3/20 0.38
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
HTT P42858 4/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 3/20 0.36
GALR3 O60755 2/20 0.36
POLB P06746 2/20 0.36
ATM Q13315 2/20 0.36
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
RAD52 P43351 1/20 0.36
PAX8 Q06710 1/20 0.36
NR2F2 P24468 1/20 0.36
APOBEC3A P31941 1/20 0.36

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
SCHEMBL28282304 1.00 GNAI3 (0.38) GNAI3GNAO1GNAI1NPC1RAB9A
SCHEMBL27451155 1.00 GNAI3 (0.38) GNAI3GNAO1GNAI1NPC1RAB9A
SCHEMBL28287505 1.00 GNAI3 (0.38) GNAI3GNAO1GNAI1NPC1RAB9A
SCHEMBL27450698 1.00 GNAI3 (0.38) GNAI3GNAO1GNAI1NPC1RAB9A
SCHEMBL5174927 0.98 GNAI3 (0.35) GNAI3GNAO1GNAI1NPC1RAB9A
Bromide SCHEMBL29130097 0.96 NPC1 (0.36) GNAI3GNAO1GNAI1NPC1RAB9A
SCHEMBL27616893 0.96 GNAI3 (0.34) GNAI3GNAO1GNAI1NPC1RAB9A
SCHEMBL1685344 0.91
Acetic Acid SCHEMBL29252727 0.89 KCNH2 (0.38) ALDH1A1CYP1A2CYP2C19GAA
Acetic Acid SCHEMBL29252130 0.89 KCNH2 (0.38) ALDH1A1CYP1A2CYP2C19GAA

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
EP-3245252-B1 PROCESS FOR PRODUCING POLYMER COMPOSITIONS EXXONMOBIL CHEMICAL PATENTS INC (US) 2021-10-13 EP disclosed