SCHEMBL27979796

SCHEMBL27979796

C=CC(=N)CCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.50
SPHK1 Q9NYA1 1/20 0.50
TSHR P16473 6/20 0.42
FAAH O00519 2/20 0.42
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
SOAT1 P35610 1/20 0.42
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 6/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
HDAC11 Q96DB2 5/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41

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
SCHEMBL27979470 1.00 SPHK2 (0.50) SPHK2SPHK1TSHRFAAHCES2
SCHEMBL27979630 1.00 SPHK2 (0.50) SPHK2SPHK1TSHRFAAHCES2
SCHEMBL28813795 0.98
SCHEMBL27979487 0.90 FAAH (0.58) FAAHMEN1KMT2ATP53CYP1A2
SCHEMBL29771330 0.78 SPHK2 (0.52) SPHK2SPHK1TSHRFAAHCES2
SCHEMBL21694351 0.76 SPHK2 (0.50) SPHK2SPHK1TSHRFAAHCES2
Hydrochloric Acid SCHEMBL7619611 0.76 SPHK2 (0.50) SPHK2SPHK1TSHRFAAHCES2
Hydrochloric Acid SCHEMBL7622247 0.76 SPHK2 (0.50) SPHK2SPHK1TSHRFAAHCES2
SCHEMBL16030163 0.75 TSHR (0.46) TSHRFAAHCES2CES1MEN1
SCHEMBL5791951 0.75 TSHR (0.46) TSHRFAAHCES2CES1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104428331-B Active energy beam polymer resin composition and the laminated body for using the resin combination 东洋油墨SC控股株式会社 2019-02-15 CN disclosed
CN-104428331-A Active energy ray-polymerizable resin composition and laminate obtained using resin composition TOYO INK SC HOLDINGS CO LTD 2015-03-18 CN disclosed