SCHEMBL7514022

SCHEMBL7514022

CC(O)NC=Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
AHR P35869 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
HTR2A P28223 3/20 0.41
HTT P42858 1/20 0.41
MAOB P27338 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
EGFR P00533 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
SCHEMBL7514017 1.00 NPC1 (0.44) NPC1RAB9AAHRTDP1HTR2A
SCHEMBL11034119 0.83 MAOB (0.44) NPC1RAB9AAHRTDP1HTR2A
SCHEMBL668826 0.79 HTT (0.57) NPC1RAB9ATDP1HTTGLA
SCHEMBL527789 0.79 HTT (0.57) NPC1RAB9ATDP1HTTGLA
SCHEMBL527788 0.79 HTT (0.57) NPC1RAB9ATDP1HTTGLA
SCHEMBL18301511 0.79 HTT (0.57) NPC1RAB9ATDP1HTTGLA
SCHEMBL527790 0.79 HTT (0.57) NPC1RAB9ATDP1HTTGLA
SCHEMBL5973236 0.75 NPC1 (0.41) NPC1RAB9AAHRTDP1HTR2A
SCHEMBL5973233 0.75 NPC1 (0.41) NPC1RAB9AAHRTDP1HTR2A
SCHEMBL28793600 0.75 HTR2A (0.42) NPC1RAB9AAHRTDP1HTR2A

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-0912586-B1 FUNCTIONALIZED FERROCENYLDIPHOSPHINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE SYNGENTA PARTICIPATIONS AG (CH) 2002-01-16 EP disclosed
US-6169192-B1 LIGANDS FOR TRANSITION METAL COMPLEXES SUITABLE FOR ENANTIOSELECTIVE HYDROGENATION OF ORGANIC DOUBLE OR TRIPLE BONDS NOVARTIS AG (CH) 2001-01-02 US disclosed
EP-0912586-A1 FUNCTIONALIZED FERROCENYLDIPHOSPHINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE Novartis AG (CH) 1999-05-06 EP disclosed
WO-1998001457-A1 FUNCTIONALIZED FERROCENYLDIPHOSPHINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE NOVARTIS AG (CH) 1998-01-15 WO disclosed