SCHEMBL18673282

SCHEMBL18673282

C=c1ccc2cccc3ccc(/C=C\C)c1c32

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
ELANE P08246 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.31
GUSB P08236 1/20 0.30
THRB P10828 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
SCHEMBL19224213 0.78 ESR1 (0.36)
SCHEMBL18891779 0.78
SCHEMBL8371940 0.77 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL8371939 0.77 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL20392352 0.72 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL24520658 0.71 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL23692079 0.70
Pyrene SCHEMBL10432153 0.70 ALDH1A1 (0.65) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL23043716 0.69 ELANE (0.36) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL15802618 0.69 ELANE (0.36) ALDH1A1HPGDHSD17B10CYP3A4TSHR

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-9606438-B2 Resist underlayer composition, method of forming patterns, and semiconductor integrated circuit device including the pattern CHEIL INDUSTRIES, INC. (KR) 2017-03-28 US disclosed