SCHEMBL8559839

SCHEMBL8559839

CCCCOC(C=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.34
CTSK P43235 1/20 0.34
ADH1B P00325 3/20 0.33
ADH1C P00326 3/20 0.33
ADH1A P07327 3/20 0.33
ADH7 P40394 3/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.32
DNM1 Q05193 1/20 0.32
ADH4 P08319 2/20 0.32
ALDH1A1 P00352 1/20 0.32
EPHX1 P07099 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 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
SCHEMBL7498215 0.77 EPHX1 (0.39) TSHRSMN1; SMN2ATMCTSKCYP3A4
SCHEMBL14820781 0.77
SCHEMBL6931736 0.77
SCHEMBL9053284 0.77
SCHEMBL11361880 0.75
SCHEMBL11361898 0.75
SCHEMBL9388691 0.75 ALDH1A1 (0.36) DNM1ALDH1A1
SCHEMBL15003145 0.75 TSHR (0.35) TSHRSMN1; SMN2HPGD
SCHEMBL2215390 0.75 TSHR (0.39) TSHRSMN1; SMN2ATMADH1BADH1C
SCHEMBL23215822 0.74 TSHR (0.35) TSHRSMN1; SMN2ATMADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107602497-A A kind of preparation method of the Wan isoxazoles of 3 amino 5 浦拉司科技(上海)有限责任公司 2018-01-19 CN disclosed
EP-0858452-A1 THIAZOLE DERIVATIVE AS PROTEIN KINASE C INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-08-19 EP disclosed
WO-1998004536-A1 THIAZOLE DERIVATIVE AS PROTEIN KINASE C INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1998-02-05 WO disclosed
US-4277610-A Synthesis of 2,6,10-trimethyl-undecan-1-ol HOFFMANN-LA ROCHE INC. (US) 1981-07-07 US disclosed
US-4191842-A Protected alcohols HOFFMANN-LA ROCHE INC. (US) 1980-03-04 US disclosed
US-4180682-A Unsaturated alcohols having an ether protected group HOFFMANN-LA ROCHE INC. (US) 1979-12-25 US disclosed
US-4172958-A Ethers of 2,6,10-trimethyl-undecan-1-ols HOFFMANN-LA ROCHE INC. (US) 1979-10-30 US disclosed
US-4169209-A Ethers of 2,6-dimethyl-octane-1,8-diols HOFFMANN-LA ROCHE INC. (US) 1979-09-25 US disclosed
US-4163021-A Synthesis of 2,6,10-trimethyl-undecan-1-ol HOFFMANN-LA ROCHE INC. (US) 1979-07-31 US disclosed
US-4151205-A Synthesis of vitamin E HOFFMAN-LA ROCHE INC. (US) 1979-04-24 US disclosed
US-4140723-A Intermediate compounds for producing vitamin E HOFFMANN-LA ROCHE INC. (US) 1979-02-20 US disclosed
US-4140702-A Process for producing vitamin E intermediate compounds HOFFMANN-LA ROCHE INC. (US) 1979-02-20 US disclosed
US-4111961-A Silicon ester of carboxylic acid HOFFMANN-LA ROCHE INC. (US) 1978-09-05 US disclosed
US-4051153-A Intermediates in the synthesis of vitamin E HOFFMANN-LA ROCHE INC. (US) 1977-09-27 US disclosed
US-4041058-A Synthesis of 2,6,10-trimethyl-undecan-1-ol HOFFMANN-LA ROCHE INC. (US) 1977-08-09 US disclosed