SCHEMBL28720362

SCHEMBL28720362

CCCCCCC=COc1ccc(N)cc1C=CCCCCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
HTR1A P08908 2/20 0.34
TNNC1 P63316 1/20 0.34
CYSLTR2 Q9NS75 2/20 0.33
CYSLTR1 Q9Y271 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL29139760 0.80 ALDH1A1 (0.45) TSHRALDH1A1TP53CYSLTR2
SCHEMBL28714160 0.78 EPHX2 (0.38) CYSLTR2CYSLTR1LTA4HPDE5A
SCHEMBL28717224 0.76 CNR1 (0.37) TSHRTNNC1CYSLTR2CYSLTR1PDE5A
SCHEMBL10490495 0.73 CYP1A2 (0.51) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL5666308 0.72 GAA (0.51) TSHRKDM4EMEN1USP2ALDH1A1
SCHEMBL11485252 0.71 PDE5A (0.50) ALDH1A1POLBGAAMAPTCYSLTR2
SCHEMBL676298 0.70 SOAT2 (0.35) ALDH1A1HTTCYSLTR2CYSLTR1
SCHEMBL4382801 0.70 F7 (0.44) KDM4EMAPTHTR1ATRPV1LTA4H
SCHEMBL28819472 0.69 CNR1 (0.44) TRPV1
SCHEMBL22207488 0.68 SOAT2 (0.38) TRPV1

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
CN-113527122-A Voltage stabilizer for insulating material of direct/alternating current high-voltage cable and preparation method and application thereof 万华化学(宁波)有限公司 2021-10-22 CN disclosed