SCHEMBL16717445

SCHEMBL16717445

COCOc1cccc(CC(N)=O)c1CC[C@@H](C)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
PTPN1 P18031 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADRB2 P07550 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ADRB1 P08588 3/20 0.33
ICMT O60725 1/20 0.33
CAPN1 P07384 1/20 0.33
CFD P00746 1/20 0.33
F11 P03951 1/20 0.33
TPSB2 P20231 1/20 0.33
CNR1 P21554 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL16717622 0.80 PTPN1 (0.34) LMNAKDM4ECYP1A2PTPN1SMN1; SMN2
SCHEMBL16717617 0.80 PTPN1 (0.34) LMNAKDM4ECYP1A2PTPN1SMN1; SMN2
SCHEMBL9900086 0.79 TYR (0.36) LMNAKDM4EPTPN1ALDH1A1CNR1
SCHEMBL16729397 0.77 LMNA (0.43) LMNAKDM4EPTPN1SMN1; SMN2L3MBTL1
SCHEMBL16717058 0.77 LMNA (0.43) LMNAKDM4EPTPN1SMN1; SMN2L3MBTL1
SCHEMBL28094796 0.75 MEN1 (0.45) LMNAKDM4ECYP1A2ADRB2ADRB1
SCHEMBL7892864 0.69 PTPN1 (0.50) LMNAKDM4EPTPN1SMN1; SMN2L3MBTL1
SCHEMBL28866716 0.68 L3MBTL1 (0.44) LMNAKDM4ECYP1A2SMN1; SMN2L3MBTL1
SCHEMBL9901198 0.68 PTPN1 (0.37) KDM4EPTPN1L3MBTL1LTB4RLTB4R2
SCHEMBL9901199 0.68 PTPN1 (0.45) LMNAPTPN1HTTALDH1A1CAPN1

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
EP-3071203-A2 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS Forma Therapeutics, Inc. (US) 2016-09-28 EP disclosed
WO-2015074064-A2 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BAIR KENNETH W (US) 2015-05-21 WO disclosed