SCHEMBL29964263

SCHEMBL29964263

CC(=O)C=CC(C)=Cc1cccc(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 1/20 0.46
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
GLA P06280 1/20 0.44
ALOX5 P09917 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
MMP1 P03956 2/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL20424935 1.00 NPC1 (0.49) NPC1RAB9AMAPTPOLBTDP1
SCHEMBL6603490 0.81 TDP1 (0.62) NPC1RAB9AMAPTPOLBTDP1
SCHEMBL3222257 0.81 ALDH1A1 (0.62) NPC1RAB9AMAPTPOLBTDP1
SCHEMBL10410990 0.81 ALDH1A1 (0.62) NPC1RAB9AMAPTPOLBTDP1
SCHEMBL3222249 0.81 ALDH1A1 (0.62) NPC1RAB9AMAPTPOLBTDP1
SCHEMBL8948080 0.81 TDP1 (0.62) NPC1RAB9AMAPTPOLBTDP1
SCHEMBL31380625 0.81 TP53 (0.44) NPC1RAB9AMAPTPOLBTDP1
SCHEMBL31380608 0.81 TP53 (0.44) NPC1RAB9AMAPTPOLBTDP1
SCHEMBL31380623 0.81 TP53 (0.44) NPC1RAB9AMAPTPOLBTDP1
SCHEMBL31380589 0.81 TP53 (0.44) NPC1RAB9AMAPTPOLBTDP1

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
CN-115710181-A Compounds for reducing perception of malodour and uses thereof 凯姆克姆公司 2023-02-24 CN disclosed
CN-110494413-B Compounds for reducing perception of malodour and uses thereof 凯姆克姆公司 2022-11-22 CN disclosed