SCHEMBL1607612

SCHEMBL1607612

CCCCC=CC=CC(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
PPARG P37231 2/20 0.41
GPR132 Q9UNW8 1/20 0.41
FASN P49327 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
FAAH O00519 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL10338031 0.91 ALDH1A1 (0.52) ALDH1A1TSHRPPARGGPR132FASN
Ammonia Solution, Strong SCHEMBL29238685 0.87 ALDH1A1 (0.53) ALDH1A1TSHRPPARGGPR132FASN
SCHEMBL19446508 0.85 ALDH1A1 (0.33) ALDH1A1TSHRPPARGGPR132CNR1
SCHEMBL109949 0.82
SCHEMBL4395842 0.82
SCHEMBL109950 0.82
SCHEMBL5136432 0.82 ALDH1A1 (0.42) ALDH1A1TSHRPPARGGPR132FASN
SCHEMBL2274584 0.82 TSHR (0.59) ALDH1A1TSHRFASNFAAH
SCHEMBL26905336 0.82 TSHR (0.59) ALDH1A1TSHRFASNFAAH
SCHEMBL2274578 0.82 TSHR (0.59) ALDH1A1TSHRFASNFAAH

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-20110081594-A1 POLYMER MEMBRANE FOR BATTERY, METHOD OF PREPARING SAME AND BATTERY INCLUDING SAME SAMSUNG SDI CO., LTD., (KR) 2011-04-07 US disclosed