SCHEMBL9275804

SCHEMBL9275804

CCC(C)Sc1ccc(OCC(C)Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PPARG P37231 7/20 0.36
PPARA Q07869 7/20 0.36
ALOX5 P09917 6/20 0.36
PTGES O14684 4/20 0.35
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NQO1 P15559 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
FFAR1 O14842 1/20 0.33
MAPT P10636 2/20 0.32
ADAM17 P78536 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL9274915 0.83 LMNA (0.53) LMNASMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL9268482 0.80 PPARG (0.42) PPARGPPARAALOX5PTGESTDP1
SCHEMBL10860502 0.80 AR (0.47) LMNASMN1; SMN2KMT2AKDM4ETDP1
SCHEMBL10789684 0.79 LTA4H (0.44) SMN1; SMN2KMT2ANPC1RAB9APPARG
SCHEMBL23295252 0.78 NQO1 (0.34) LMNASMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL9856170 0.77 CA12 (0.44) LMNASMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL9856294 0.77 PPARG (0.39) SMN1; SMN2PPARGPPARAALOX5PTGES
SCHEMBL9856269 0.77 TAAR1 (0.44) SMN1; SMN2PPARGPPARAALOX5PTGES
SCHEMBL10789677 0.77 PPARG (0.33) LMNASMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL9268024 0.77 NR1I2 (0.49) LMNASMN1; SMN2KMT2APPARGPPARA

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-5389651-A Nitrogen-containing heterocyclyl-oxy and -thio compounds useful as pesticides SANDOZ LTD. (CH) 1995-02-14 US disclosed