SCHEMBL21092252

SCHEMBL21092252

NC1=CCCC(C2=CC=C(c3ccccc3)CC2)=C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
HTR2C P28335 1/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP3A4 P08684 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL20651349 0.88 HSD17B10 (0.39) SIGMAR1HTR2CHSD17B10CYP3A4TAAR1
SCHEMBL272499 0.73 SIGMAR1 (0.52) SIGMAR1HTR2CALDH1A1
SCHEMBL12992771 0.73 HSD17B10 (0.39) SIGMAR1HTR2CHSD17B10CYP3A4TAAR1
SCHEMBL22213401 0.72 MAOA (0.45) CYP3A4ALDH1A1
SCHEMBL21416895 0.71 CYP3A4 (0.43) HSD17B10CYP3A4TAAR1TDP1ALDH1A1
SCHEMBL22213402 0.71 ALDH1A1 (0.46) HSD17B10CYP3A4TDP1ALDH1A1
SCHEMBL15151771 0.69
SCHEMBL28554683 0.69 ALDH1A1 (0.50) SIGMAR1HTR2CHSD17B10CYP3A4TAAR1
Ethylene SCHEMBL28319407 0.69 SIGMAR1 (0.48) SIGMAR1HTR2CALDH1A1
SCHEMBL12993025 0.68 HSD17B10 (0.34) SIGMAR1HTR2CHSD17B10CYP3A4TAAR1

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-3492553-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE Samsung SDI Co., Ltd. (KR) 2019-06-05 EP disclosed