SCHEMBL8493259

SCHEMBL8493259

CC(C)(C)c1cc(=O)c2ccc(N3CCCCC3)cc2o1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.42
▸ ERCC1 P07992 1/20 0.40
▸ DNASE1 P24855 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ ERCC4 Q92889 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ STS P08842 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PRKDC P78527 6/20 0.38
▸ IP6K1 Q92551 1/20 0.36
▸ TERT O14746 1/20 0.36
▸ HPGD P15428 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
SCHEMBL8497216 0.88 PRKDC (0.49) ALOX15MAPTPRKDC
SCHEMBL1937493 0.76 HSD17B10 (0.51) ALOX15HSD17B10ERCC1DNASE1FEN1
SCHEMBL22083443 0.75 CYP19A1 (0.57) ALOX15HSD17B10MEN1KMT2AMAPT
SCHEMBL32677438 0.75 HSD17B10 (0.53) ALOX15HSD17B10ERCC1DNASE1FEN1
SCHEMBL1937101 0.75 HSD17B10 (0.53) ALOX15HSD17B10ERCC1DNASE1FEN1
SCHEMBL24589799 0.73 MAOB (0.55) HSD17B10ALDH1A1MAPTL3MBTL1PRKDC
SCHEMBL22083783 0.73 CYP19A1 (0.58) ALOX15HSD17B10MEN1KMT2AMAPT
SCHEMBL24518077 0.72 ALDH1A1 (0.48) ALOX15HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL8493156 0.72 ALOX15 (0.66) ALOX15HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL25412346 0.72 ALOX15 (0.57) ALOX15HSD17B10EPHX2STSALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977351-A Benzpyrylium squarylium and croconylium dyes, and processes for their preparation and use POLAROID CORPORATION (US) 1999-11-02 — — US disclosed
US-5627014-A COMPOSITIONS FOR ABSORBERS OF HEAT WHILE COLORING POLAROID CORPORATION (US) 1997-05-06 — — US disclosed
US-5405976-A Infrared absorbers; solubility in solvents, polymers POLAROID CORPORATION (US) 1995-04-11 — — US disclosed
US-5262549-A Visible and near infra-red absorbers for images POLAROID CORPORATION (US) 1993-11-16 — — US disclosed
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