SCHEMBL8054971

SCHEMBL8054971

C=C(OCCCC)C(OCCCC)(OCCCC)OP(=O)(OC(OCCCC)(OCCCC)C(=C)OCCCC)OC(OCCCC)(OCCCC)C(=C)OCCCC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 5/20 0.37
HPGD P15428 2/20 0.37
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
SMPD1 P17405 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LPAR3 Q9UBY5 3/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 0.31
NAAA Q02083 1/20 0.31

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
SCHEMBL8054972 0.89 SMPD1 (0.40) CYP3A4ALDH1A1TSHRHPGDATM
SCHEMBL5685934 0.70 CYP3A4 (0.50) CYP3A4ALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL3913186 0.69 ALDH1A1 (0.39) ALDH1A1TSHRHPGDATMSMN1; SMN2
SCHEMBL127570 0.69 CYP3A4 (0.48) CYP3A4TSHRHPGDSMN1; SMN2SMPD1
SCHEMBL24924894 0.66 ALDH1A1 (0.43) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL15925689 0.66 ALDH1A1 (0.43) CYP3A4ALDH1A1TSHRHPGDATM
SCHEMBL37202 0.65 CYP3A4 (0.47) CYP3A4TSHRHPGDSMN1; SMN2SMPD1
SCHEMBL3902661 0.65 TSHR (0.43) CYP3A4ALDH1A1TSHRHPGDHCAR2
SCHEMBL4447305 0.63 SMPD1 (0.48) CYP3A4TSHRSMPD1LPAR3LPAR1
SCHEMBL28520717 0.63 CYP3A4 (0.38) CYP3A4TSHRSMPD1LPAR3LPAR1

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-6030543-A A TRIALKOXYALKYL PHOSPHATE ESTER, A TRIALKYL PHOSPHATE OR A MIXTURE THEREOF, AND A TRIALKYL PHOSPHITE ESTER HAVING A POUR POINT OF LESS THAN-50.DEGREE. C.; EXTREME TEMPERATURE LUBRICANTS; WEAR, CORROSION AND HEAT RESISTANCES; RHEOLOGY GREAT LAKES CHEMICAL CORPORATION (US) 2000-02-29 US claimed
US-20160201001-A1 ADDITIVE FOR OIL-BASED LUBRICANTS HAVING IMPROVED EXTREME PRESSURE PROPERTIES Terralub GmbH (DE) 2016-07-14 US disclosed