SCHEMBL8945470

SCHEMBL8945470

C=C(C)C(=O)OCc1ccccc1.CCCCCCCCCCCCCCCCCCC=C(C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
CETP P11597 3/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MBOAT4 Q96T53 1/20 0.40
FAAH O00519 3/20 0.39
EPHX2 P34913 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
EP300 Q09472 1/20 0.39
HPGD P15428 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL18990498 1.00 TSHR (0.43) TSHRCETPALDH1A1CYP3A4MAPK1
SCHEMBL29036481 0.87 CETP (0.49) TSHRCETPALDH1A1CYP3A4MAPK1
SCHEMBL27483298 0.87 CETP (0.49) TSHRCETPALDH1A1CYP3A4MAPK1
SCHEMBL28037774 0.87 CETP (0.49) TSHRCETPALDH1A1CYP3A4MAPK1
SCHEMBL20925298 0.86 ALDH1A1 (0.50) TSHRCETPALDH1A1CYP3A4MAPK1
SCHEMBL28303586 0.85 TSHR (0.46) TSHRCETPALDH1A1CYP3A4MAPK1
SCHEMBL29527858 0.85 ALDH1A1 (0.49) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL2689920 0.85 TSHR (0.50) TSHRCETPALDH1A1CYP3A4MAPK1
SCHEMBL16651566 0.85 TSHR (0.50) TSHRCETPALDH1A1CYP3A4MAPK1
SCHEMBL7107538 0.82 TSHR (0.67) TSHRCETPALDH1A1CYP3A4MAPK1

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-5589312-A RESIN GRAINS FUJI PHOTO FILM CO., LTD. (JP) 1996-12-31 US disclosed