SCHEMBL7114255

SCHEMBL7114255

C=CC(=CCCCCC=C(C=C)CCCC)CC

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.34
EP300 Q09472 1/20 0.34
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL29284258 0.90 TSHR (0.48) TSHREP300TP53
SCHEMBL11601333 0.90 TSHR (0.44) TSHRALDH1A1EP300TP53HPGD
SCHEMBL108398 0.90 TSHR (0.44) TSHRALDH1A1EP300TP53HPGD
SCHEMBL108399 0.90 TSHR (0.44) TSHRALDH1A1EP300TP53HPGD
SCHEMBL9856471 0.87 TSHR (0.46) TSHRALDH1A1EP300HPGD
SCHEMBL9856475 0.87 TSHR (0.46) TSHRALDH1A1EP300HPGD
SCHEMBL29284448 0.86 TSHR (0.48) TSHREP300TP53
SCHEMBL8430984 0.85 TSHR (0.39) TSHRALDH1A1TP53HPGDCES2
SCHEMBL8430987 0.85 TSHR (0.39) TSHRALDH1A1TP53HPGDCES2
SCHEMBL2879170 0.82 TSHR (0.39) TSHRALDH1A1TP53CES1

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-6525140-B1 Method of preparation of coupled branched and linear polymer compositions FIRESTONE POLYMERS, LLC 2003-02-25 US disclosed