SCHEMBL28002018

SCHEMBL28002018

CCCCCOC(C)C(O)CC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.42
DNM1 Q05193 1/20 0.41
USP2 O75604 1/20 0.38
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
LPAR1 Q92633 4/20 0.35
LPAR3 Q9UBY5 4/20 0.35
LPAR2 Q9HBW0 1/20 0.35
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL11417020 0.93 SPHK1 (0.35) SPHK1DNM1USP2ALDH1A1
SCHEMBL28353703 0.84 HSD17B10 (0.41)
SCHEMBL2545522 0.83 USP2 (0.48) SPHK1DNM1USP2HTTALDH1A1
SCHEMBL3873682 0.83 USP2 (0.48) SPHK1DNM1USP2HTTALDH1A1
SCHEMBL25421947 0.83 USP2 (0.48) SPHK1DNM1USP2HTTALDH1A1
SCHEMBL10696347 0.83 DNM1 (0.45) SPHK1DNM1USP2HTTLPAR1
SCHEMBL9730272 0.82 DNM1 (0.43) SPHK1DNM1USP2HTTALDH1A1
SCHEMBL8516303 0.82 DNM1 (0.43) SPHK1DNM1USP2HTTALDH1A1
SCHEMBL1944097 0.82 DNM1 (0.55) SPHK1DNM1USP2HTTALDH1A1
SCHEMBL9730541 0.80 DNM1 (0.47) SPHK1DNM1USP2HTTLPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104774137-B A kind of 2-amylalcohol and 3-amylalcohol heat pump distillation apparatus and production method 上海众一石化工程有限公司 2016-07-06 CN disclosed
CN-204569777-U A kind of 2-amylalcohol and 3-amylalcohol heat pump distillation apparatus SHANGHAI ZONE PETROCHEMICAL ENGINEERING CO LTD 2015-08-19 CN disclosed
CN-104774137-A Heat pump rectification device and production method for 2-amyl alcohol and 3-amyl alcohol SHANGHAI ZONE PETROCHEMICAL ENGINEERING CO LTD 2015-07-15 CN disclosed