SCHEMBL12039481

SCHEMBL12039481

C=C(OCC(CC)CCCC)C(C)CC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
CYP3A4 P08684 6/20 0.53
TDP1 Q9NUW8 3/20 0.53
ATM Q13315 1/20 0.53
ALDH1A1 P00352 9/20 0.46
CA2 P00918 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
RECQL P46063 1/20 0.44
LMNA P02545 3/20 0.42
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 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
SCHEMBL21474645 0.82 CYP3A4 (0.57) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL21064652 0.81 TSHR (0.61) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL1108109 0.80 CYP3A4 (0.64) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL11756051 0.79 CYP3A4 (0.53) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL7218980 0.76 CYP3A4 (0.64) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL21052460 0.76 CYP3A4 (0.64) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL17151378 0.75 TSHR (0.54) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL7219456 0.75 CYP3A4 (0.62) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL6657558 0.75 TSHR (0.63) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL17016729 0.75 CYP3A4 (0.57) TSHRCYP3A4TDP1ATMALDH1A1

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
US-11840591-B2 In situ peelable protective barrier films Sanipeel, LLC (US) 2023-12-12 US disclosed
US-20110318686-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION EVERLIGHT USA, INC. (US) 2011-12-29 US disclosed