SCHEMBL7647018

SCHEMBL7647018

C=C(C)c1ccc(C(=O)OOC(C)(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.65
ALDH1A1 P00352 3/20 0.65
TDP1 Q9NUW8 2/20 0.65
HSD17B10 Q99714 1/20 0.65
F2 P00734 1/20 0.38
LMNA P02545 1/20 0.38
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
CA14 Q9ULX7 3/20 0.35
CA7 P43166 2/20 0.34
MAPT P10636 3/20 0.34
MAPK1 P28482 1/20 0.34
ELANE P08246 2/20 0.33
NOTUM Q6P988 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL11126724 0.88 TSHR (0.80) TSHRALDH1A1TDP1HSD17B10F2
SCHEMBL8896071 0.85 ALDH1A1 (0.69) TSHRALDH1A1TDP1HSD17B10LMNA
SCHEMBL476527 0.82 ALDH1A1 (0.71) TSHRALDH1A1TDP1HSD17B10F2
SCHEMBL9311265 0.81 CA12 (0.51) TSHRALDH1A1TDP1HSD17B10CA1
SCHEMBL28647699 0.81 ALDH1A1 (0.75) TSHRALDH1A1TDP1HSD17B10F2
SCHEMBL27601087 0.80 ALDH1A1 (0.62) TSHRALDH1A1TDP1HSD17B10LMNA
SCHEMBL10985472 0.80 ALDH1A1 (0.62) TSHRALDH1A1TDP1HSD17B10LMNA
SCHEMBL9403236 0.79 ALDH1A1 (0.67) TSHRALDH1A1TDP1HSD17B10F2
SCHEMBL19452379 0.79 ALDH1A1 (0.67) TSHRALDH1A1TDP1HSD17B10CA1
SCHEMBL11422805 0.79 ALDH1A1 (0.67) TSHRALDH1A1TDP1HSD17B10LMNA

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-6437052-B1 Monomer having diol structure, polymer thereof, and negative photoresist composition and pattern forming method using the same NEC CORPORATION (JP) 2002-08-20 US disclosed
US-20020016431-A1 Monomer having diol structure, polymer thereof, and negative photoresist composition and pattern forming method using the same background of the invention NEC CORPORATION 2002-02-07 US disclosed