SCHEMBL9756543

SCHEMBL9756543

CN(C)CCCCCCCCCCCCCCC(N)=O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
TSHR P16473 1/20 0.55
KDM4A O75164 12/20 0.52
KDM4C Q9H3R0 12/20 0.52
KDM5A P29375 1/20 0.52
KDM7A Q6ZMT4 1/20 0.52
PHF8 Q9UPP1 1/20 0.52
KDM2A Q9Y2K7 1/20 0.52
PAOX Q6QHF9 1/20 0.48
DNM1 Q05193 4/20 0.46
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL11333481 1.00 ALDH1A1 (0.55) ALDH1A1TSHRKDM4AKDM4CKDM5A
SCHEMBL11331471 1.00 ALDH1A1 (0.55) ALDH1A1TSHRKDM4AKDM4CKDM5A
SCHEMBL4605537 1.00 ALDH1A1 (0.55) ALDH1A1TSHRKDM4AKDM4CKDM5A
SCHEMBL8891924 1.00 ALDH1A1 (0.55) ALDH1A1TSHRKDM4AKDM4CKDM5A
Hydrochloric Acid SCHEMBL28819303 0.98 KDM4A (0.53) ALDH1A1TSHRKDM4AKDM4CKDM5A
SCHEMBL2127729 0.97 ALDH1A1 (0.50) ALDH1A1TSHRKDM4AKDM4CKDM5A
SCHEMBL28228639 0.91 DNM1 (0.62) ALDH1A1TSHRDNM1HSD17B10
SCHEMBL177924 0.90
SCHEMBL29455240 0.88 FAAH (0.63) HSD17B10
Hydrochloric Acid SCHEMBL21197515 0.87 KDM4A (0.44) ALDH1A1TSHRKDM4AKDM4CKDM5A

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
JP-3197565-A None JP disclosed
JP-H03197565-A ASPHALT EMULSION COMPOSITION FOR APPLYING AT ORDINARY TEMPERATURE SHOWA SHELL SEKIYU KK 1991-08-28 JP disclosed