SCHEMBL6581882

SCHEMBL6581882

CC(=O)c1cc(C(C)(C)C)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.60
HSP90AB1 P08238 1/20 0.60
ALDH1A1 P00352 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
HSD17B10 Q99714 2/20 0.57
HPGD P15428 2/20 0.57
ALOX15 P16050 2/20 0.57
PLG P00747 2/20 0.54
KLK1 P06870 2/20 0.54
KLK6 Q92876 2/20 0.54
KLKB1 P03952 1/20 0.54
MAPT P10636 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 2/20 0.52
PKM P14618 1/20 0.52
RECQL P46063 1/20 0.52
SIRT1 Q96EB6 1/20 0.49
P2RX1 P51575 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45

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
SCHEMBL13609958 0.86 ESR1 (0.53) HSP90AA1HSP90AB1ALDH1A1TDP1HSD17B10
SCHEMBL20968011 0.84 HSP90AA1 (0.60) HSP90AA1HSP90AB1ALDH1A1TDP1HSD17B10
SCHEMBL6858460 0.84 HSP90AA1 (0.60) HSP90AA1HSP90AB1ALDH1A1TDP1HSD17B10
SCHEMBL134234 0.84 HSP90AA1 (0.60) HSP90AA1HSP90AB1ALDH1A1TDP1HSD17B10
SCHEMBL4516137 0.84 TDP1 (0.45) HSP90AA1HSP90AB1ALDH1A1TDP1HSD17B10
SCHEMBL4343478 0.84 ALDH1A1 (0.57) HSP90AA1HSP90AB1ALDH1A1TDP1HSD17B10
SCHEMBL11552788 0.83 HSP90AA1 (0.44) HSP90AA1HSP90AB1ALDH1A1TDP1HSD17B10
SCHEMBL10933923 0.82 HSP90AA1 (0.58) HSP90AA1HSP90AB1ALDH1A1TDP1HSD17B10
SCHEMBL1912762 0.82 HSP90AA1 (0.58) HSP90AA1HSP90AB1ALDH1A1TDP1HSD17B10
SCHEMBL320481 0.82 CES2 (0.52) ALDH1A1HSD17B10HPGDMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9795549-B2 1,2-alkane polyol-containing composition OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2017-10-24 US disclosed
US-20160045414-A1 1,2-ALKANE POLYOL-CONTAINING COMPOSITION OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2016-02-18 US disclosed
EP-2985017-A1 1,2-ALKANE POLYOL-CONTAINING COMPOSITION Osaka Organic Chemical Ind., Ltd. (JP) 2016-02-17 EP disclosed
EP-0716088-B1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL CO (JP) 2004-02-18 EP disclosed
US-5597929-A Production process of 2-(tetrazol-5-yl)-4-oxo-4H-benzopyran SUMITOMO CHEMICAL CO., LTD. (JP) 1997-01-28 US disclosed
EP-0716088-A1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-12 EP disclosed
US-5066695-A Plastics; heat resistance, dispersibility CIBA-GEIGY CORPORATION (US) 1991-11-19 US disclosed
US-4745114-A MORPHOLINE SUBSTITUTED BENZOPYRAN IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-05-17 US disclosed
US-4245099-A ANTIINFLAMMATORY, ANALGESIC, DIURETIC, ANTIPYRETIC AND HYPOTENSIVE AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1981-01-13 US disclosed
WO-1980000561-A1 ALPHA-ALKYL-O-OXY-BENZYLAMIN DERIVATIVES,PREPARATION THEREOF AND REMEDIES CONTAINING THEM SANDOZ AG (CH) 1980-04-03 WO disclosed