SCHEMBL4544624

SCHEMBL4544624

C=CCOC(=O)C(C)(C)CC(C)(CC)C(=O)OCC=C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL12913880 0.93 TSHR (0.36) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL12993045 0.90 TSHR (0.36) TSHRCYP3A4TDP1SMN1; SMN2
SCHEMBL12609535 0.90 TSHR (0.36) TSHRCYP3A4TDP1SMN1; SMN2
SCHEMBL12890738 0.89 TSHR (0.36) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL11012846 0.87 TSHR (0.43) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL12609605 0.85 CYP4F2 (0.34) TSHRCYP4F2CYP4A11SMN1; SMN2
SCHEMBL27366742 0.85 TSHR (0.40) TSHRCYP3A4TDP1CYP4F2CYP4A11
SCHEMBL750654 0.83 TSHR (0.43) TSHRCYP3A4TDP1CYP4F2CYP4A11
SCHEMBL10033540 0.82 TSHR (0.40) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL10033545 0.81 TSHR (0.39) TSHRCYP3A4TDP1MAPTCACNA1B

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-8168370-B2 Photosensitive composition which included photopolymerization initiator; graft polymer binder FUJIFILM CORPORATION (JP) 2012-05-01 US disclosed