SCHEMBL8715549

SCHEMBL8715549

COc1ccc(CC(C)C(N)C(O)c2cccc(C(F)(F)F)c2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 3/20 0.48
ALOX12 P18054 3/20 0.48
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
FOS P01100 1/20 0.43
TTR P02766 1/20 0.43
JUN P05412 1/20 0.43
NR3C1 P04150 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
PNMT P11086 1/20 0.42
CTSD P07339 1/20 0.41
NQO2 P16083 1/20 0.40
MMP1 P03956 1/20 0.40

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
SCHEMBL8715547 1.00 SMN1; SMN2 (0.51) SMN1; SMN2MAPTALOX15ALOX12LMNA
SCHEMBL8712985 0.88 ALOX15 (0.48) SMN1; SMN2MAPTALOX15ALOX12LMNA
SCHEMBL8712987 0.88 ALOX15 (0.48) SMN1; SMN2MAPTALOX15ALOX12LMNA
SCHEMBL8713251 0.87 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALOX15ALOX12LMNA
SCHEMBL8713254 0.87 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALOX15ALOX12LMNA
SCHEMBL8716940 0.84 ALOX15 (0.52) MAPTALOX15ALOX12KDM4EHTR2B
SCHEMBL8716943 0.84 ALOX15 (0.52) MAPTALOX15ALOX12KDM4EHTR2B
SCHEMBL8713854 0.84 ALOX15 (0.53) ALOX15ALOX12LMNAKDM4EFOS
SCHEMBL8713857 0.84 ALOX15 (0.53) ALOX15ALOX12LMNAKDM4EFOS
SCHEMBL8719224 0.83 PNMT (0.43) SMN1; SMN2MAPTLMNAHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed