SCHEMBL9683024

SCHEMBL9683024

CCCc1cc(Oc2ccc(Cc3ccc(Oc4cc(CCC)c(N)c(CCC)c4)cc3)cc2)cc(CCC)c1N

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 1/20 0.43
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
LTA4H P09960 2/20 0.37
SRD5A2 P31213 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DHFR P00374 1/20 0.35
PKM P14618 1/20 0.35
PPARG P37231 1/20 0.35
NPC1 O15118 1/20 0.35
ALOX5 P09917 2/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34

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
SCHEMBL9682268 0.86 ST14 (0.46) ST14ALDH1A1RAB9ASMN1; SMN2LTA4H
SCHEMBL3940715 0.86 HMGCR (0.35) ST14ALDH1A1RAB9ASMN1; SMN2HTT
SCHEMBL29619541 0.78 ST14 (0.41) ST14ALDH1A1RAB9ASMN1; SMN2SRD5A2
SCHEMBL1100124 0.76 DHFR (0.41) HTTDHFR
SCHEMBL9680517 0.75 ST14 (0.48) ST14ALDH1A1RAB9ASMN1; SMN2LTA4H
SCHEMBL3939086 0.74 TLR8 (0.39) LTA4HALOX5
SCHEMBL8157883 0.73 CYP19A1 (0.42) ALDH1A1RAB9ASMN1; SMN2PPARG
SCHEMBL5374367 0.73 TLR8 (0.40) HTTALOX5
SCHEMBL5377423 0.73 NR4A1 (0.50) ALDH1A1RAB9ASMN1; SMN2HSD17B10PPARG
SCHEMBL3945146 0.72 ALDH1A1 (0.42) ALDH1A1RAB9AHSD17B10DHFR

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-5112942-A Copolymers, aromatic diamine with alkyl substituents and phenoxy substituted aromatic diamine, resistance to stess cracking ETHYL CORPORATION (US) 1992-05-12 US disclosed