SCHEMBL504635

SCHEMBL504635

C=CCCC(=C)C(=O)O.C=CCCC(=C)C(=O)OCC=C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
MAPT P10636 3/20 0.33
CYP3A4 P08684 2/20 0.33
ABCC4 O15439 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
LMNA P02545 2/20 0.30
USP2 O75604 1/20 0.30
RECQL P46063 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL3263975 0.93 TSHR (0.39) TSHRMAPTCYP3A4ABCC4HSD17B10
SCHEMBL4452709 0.88 TSHR (0.41) TSHRMAPTCYP3A4ABCC4ALOX15
SCHEMBL5447947 0.84 TSHR (0.39) TSHRMAPTCYP3A4ABCC4ALOX15
SCHEMBL16618079 0.82 MAPT (0.44) MAPTCYP3A4ABCC4ALOX15HSD17B10
SCHEMBL18828 0.82
SCHEMBL197550 0.81 LMNA (0.32) TSHRMAPTCYP3A4ABCC4SMN1; SMN2
SCHEMBL1955290 0.81 MAPT (0.40) MAPTCYP3A4ABCC4ALOX15HSD17B10
Fluoride SCHEMBL12006687 0.80 MAPT (0.43) MAPTCYP3A4ABCC4ALOX15HSD17B10
SCHEMBL4562517 0.80 MAPT (0.43) MAPTCYP3A4ABCC4ALOX15HSD17B10
Ammonia Solution, Strong SCHEMBL1076582 0.80 MAPT (0.43) MAPTCYP3A4ABCC4ALOX15HSD17B10

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-20120027840-A1 ADHESIVE PATCH AND PATCH PREPARATION NITTO DENKO CORPORATION (JP) 2012-02-02 US disclosed