SCHEMBL9760245

SCHEMBL9760245

C=CC(=O)c1cc(OCc2ccccc2)c(OCCC)c(SC)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 2/20 0.40
SMPD1 P17405 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GCK P35557 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
BRD4 O60885 1/20 0.37
LMNA P02545 2/20 0.36
ABCB1 P08183 1/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36

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
SCHEMBL9760249 0.85 SMN1; SMN2 (0.38) SMN1; SMN2HPGDNPC1RAB9AKDM4E
SCHEMBL9100958 0.81 NPC1 (0.48) SMN1; SMN2HPGDNPC1RAB9ASMPD1
SCHEMBL10428975 0.79 MAPT (0.43) SMN1; SMN2LMNA
SCHEMBL9099598 0.79 MAOA (0.42) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL9811439 0.79 KDM4E (0.48) SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL10428974 0.77 HTR1A (0.39) SMN1; SMN2LMNA
SCHEMBL9811432 0.75 CCNB2 (0.47) HPGDKDM4ELMNA
SCHEMBL27453865 0.74 TNFRSF1A (0.54) SMN1; SMN2HPGDNPC1RAB9AKDM4E
SCHEMBL27472542 0.72 RXRA (0.55) SMN1; SMN2HPGDNPC1RAB9AKDM4E
SCHEMBL2719972 0.69 LMNA (0.56) SMN1; SMN2HPGDNPC1RAB9AKDM4E

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
US-5011847-A 2,5-diaryl tetrahydrofurans and analogs thereof as PAF antagonists MERCK & CO., INC. (US) 1991-04-30 US disclosed
US-5001123-A 2,5-diaryl tetrahydrofurans and analogs thereof as PAF antagonists MERCK & CO., INC. (US) 1991-03-19 US disclosed
EP-0402156-A1 New 2,5-diaryl tetrahydrofurans and analogs thereof as PAF antagonists MERCK & CO. INC. (US) 1990-12-12 EP disclosed
EP-0402155-A1 New 2,5-diaryl tetrahydrofurans and analogs therof as PAF antagonists MERCK & CO. INC. (US) 1990-12-12 EP disclosed