SCHEMBL6001907

SCHEMBL6001907

CC(C)(C)c1ccc(COc2ccccc2CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPRB P23467 1/20 0.50
PTPN6 P29350 1/20 0.50
PTPN11 Q06124 1/20 0.50
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RXRA P19793 3/20 0.47
RXRB P28702 3/20 0.47
RXRG P48443 2/20 0.47
APP P05067 1/20 0.46
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
NR4A2 P43354 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
MAOB P27338 1/20 0.45
NR4A1 P22736 1/20 0.45
NR4A3 Q92570 1/20 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
SCHEMBL5507599 0.84 PTPN1 (0.57) PTPRCPTPN2PTPN1PTPRBPTPN6
SCHEMBL2539350 0.82 L3MBTL1 (0.53) PTPRCPTPN2PTPN1PTPRBPTPN6
SCHEMBL2294379 0.82 RXRA (0.45) PTPRCPTPN2PTPN1PTPRBPTPN6
SCHEMBL6044383 0.82 MRGPRX4 (0.49) RAB9AL3MBTL1RXRARXRBRXRG
SCHEMBL768907 0.82 MRGPRX4 (0.52) RAB9AL3MBTL1RXRARXRBRXRG
SCHEMBL692555 0.81 HTR1A (0.67) L3MBTL1HTR1ADRD2ALDH1A1ABCB1
SCHEMBL2290382 0.81 PTPN1 (0.54) PTPRCPTPN2PTPN1PTPRBPTPN6
SCHEMBL13009602 0.79 HTR1A (0.74) L3MBTL1HTR1ADRD2ALDH1A1ABCB1
SCHEMBL5641766 0.79 MAPT (0.61) RAB9AL3MBTL1HTR1ADRD2ALDH1A1
SCHEMBL12301141 0.79 RXRA (0.58) PTPRCPTPN2PTPN1PTPRBPTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1655280-A1 Dicarboxylic acid derivates with pharmaceutical properties Bayer HealthCare AG (DE) 2006-05-10 EP disclosed
US-6864287-B1 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2005-03-08 US disclosed
EP-1216222-A2 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES Bayer Aktiengesellschaft (DE) 2002-06-26 EP disclosed
WO-2001019776-A2 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed