SCHEMBL8993775

SCHEMBL8993775

CCCCCCCC/C=C\CCCCCCCCNc1ncccn1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
DNM2 P50570 2/20 0.46
HPGD P15428 1/20 0.44
KCNH3 Q9ULD8 1/20 0.43
PPARA Q07869 2/20 0.42
FAAH O00519 3/20 0.41
CES1 P23141 1/20 0.40

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
SCHEMBL8993792 1.00 ALDH1A1 (0.48) ALDH1A1DNM2HPGDKCNH3PPARA
SCHEMBL23610609 0.89 ALDH1A1 (0.60) ALDH1A1DNM2HPGDKCNH3
SCHEMBL658589 0.88 ALDH1A1 (0.62) ALDH1A1DNM2HPGDKCNH3
SCHEMBL29528459 0.85 FAAH (0.45) DNM2PPARAFAAH
SCHEMBL6490227 0.82 ALDH1A1 (0.65) ALDH1A1DNM2HPGDKCNH3
SCHEMBL15928752 0.80 ALDH1A1 (0.48) ALDH1A1DNM2HPGDKCNH3
SCHEMBL3389747 0.75 KMT2A (0.45) DNM2KCNH3PPARAFAAH
SCHEMBL29720516 0.75 KMT2A (0.65) DNM2KCNH3PPARAFAAH
SCHEMBL1152325 0.75 KMT2A (0.45) DNM2KCNH3PPARAFAAH
SCHEMBL1152331 0.75 KMT2A (0.45) DNM2KCNH3PPARAFAAH

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
US-5550241-A Adducts of cyclic carbonyl monomers and substituted alkens EXXON RESEARCH AND ENGINEERING COMPANY (US) 1996-08-27 US disclosed