SCHEMBL18614728

SCHEMBL18614728

CC(C)c1ccc(OO)cc1.CC(C)c1ccc(OO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TYR P14679 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
IDO1 P14902 2/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL16628 1.00 RAB9A (0.46) RAB9AKMT2AMEN1TYRHTT
Methyl Alcohol SCHEMBL7601547 0.97 RAB9A (0.44) RAB9AKMT2AMEN1TYRHTT
Bicarbonate SCHEMBL11150406 0.91 RAB9A (0.49) RAB9AKMT2AMEN1TYRSMN1; SMN2
Isopropylbenzene SCHEMBL4795495 0.91 MEN1 (0.46) RAB9AKMT2AMEN1RXRARXRB
Acetone SCHEMBL11207944 0.91 RAB9A (0.49) RAB9AKMT2AMEN1TYRSMN1; SMN2
Formaldehyde SCHEMBL8074512 0.91 RAB9A (0.44) RAB9AKMT2AMEN1TYRHTT
Thiourea SCHEMBL3629265 0.89 HTT (0.55) RAB9AKMT2AMEN1HTTSMN1; SMN2
Tert-Butyl Hydroperoxide SCHEMBL4657003 0.89 KMT2A (0.40) RAB9AKMT2AMEN1TYRHTT
SCHEMBL8373970 0.87 RAB9A (0.39) RAB9AKMT2AMEN1TYRHTT
Benzoquinone SCHEMBL5141654 0.87 TYR (0.44) RAB9AKMT2AMEN1TYRSMN1; SMN2

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
EP-3347406-A1 POLYMERIZABLE COMPOSITIONS, POLYMERIZED COMPOSITIONS, AND METHODS OF MAKING AND USING THE SAME 3M Innovative Properties Company (US) 2018-07-18 EP disclosed
US-20170266651-A1 Process for the manufacture of alcohol and/or ketone PERFORMANCE POLYAMIDES S.A.S (FR) 2017-09-21 US disclosed
WO-2017044704-A1 POLYMERIZABLE COMPOSITIONS, POLYMERIZED COMPOSITIONS, AND METHODS OF MAKING AND USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-03-16 WO disclosed