SCHEMBL7868906

SCHEMBL7868906

O=C(c1ccc(F)cc1)c1cccc(C#Cc2ccccc2)c1C(=O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALPG P10696 1/20 0.40
HSD11B1 P28845 1/20 0.38
FFAR1 O14842 4/20 0.38
AKR1C3 P42330 3/20 0.38
FFAR4 Q5NUL3 2/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL4300998 0.90 NPC1 (0.57) NPC1RAB9AMMP2MMP9MMP12
SCHEMBL16796021 0.84 NPC1 (0.53) NPC1RAB9AMMP2MMP9MMP12
SCHEMBL1746493 0.80 MMP2 (0.55) MMP2MMP9MMP12HPGDSMN1; SMN2
SCHEMBL29855934 0.78 NPC1 (0.66) NPC1RAB9AHPGDSMN1; SMN2LMNA
SCHEMBL4444737 0.78 NPC1 (0.66) NPC1RAB9AHPGDSMN1; SMN2LMNA
SCHEMBL16796015 0.77 CA12 (0.51) NPC1RAB9AHPGDSMN1; SMN2LMNA
SCHEMBL4308501 0.77 NPC1 (0.44) NPC1RAB9AMMP2MMP9MMP12
SCHEMBL4301156 0.76 L3MBTL1 (0.53) MMP2MMP9MMP12HPGDSMN1; SMN2
Benzene SCHEMBL28318261 0.76 AKR1C3 (0.61) NPC1HPGDSMN1; SMN2LMNAHTT
SCHEMBL6545581 0.75 HNF4A (0.49) NPC1MMP2MMP9MMP12HPGD

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-6303733-B1 FROM BISPHENOL COMPOUNDS AND DIFLUORO DIARYLACETYLENES AND/OR ETHYNYLATED BENZOPHENONES; DIELECTRICS EMPLOYED WITH A VARIETY OF MICROELECTRONIC DEVICES, FOR EXAMPLE, INTEGRATED CIRCUITS AND MULTICHIP MODULES. ALLIEDSIGNAL INC. 2001-10-16 US claimed
WO-2000031163-A2 POLY(ARYLENE ETHER) HOMOPOLYMER COMPOSITIONS AND METHODS OF MANUFACTURE THEREOF ALLIEDSIGNAL INC. (US) 2000-06-02 WO claimed