SCHEMBL8167085

SCHEMBL8167085

CC(NNC(=O)c1ccccc1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HTT P42858 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ PTGS2 P35354 3/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ NAMPT P43490 2/20 0.45
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ IDH1 O75874 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43

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
SCHEMBL8180307 0.94 LMNA (0.50) EPHX2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8173186 0.82 POLB (0.50) KDM4EPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL5394237 0.80 PTGS2 (0.67) KDM4EPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL27666303 0.77 TAS1R3 (0.55) EPHX2NPC1RAB9AALDH1A1LMNA
SCHEMBL27666301 0.77 TAS1R3 (0.55) EPHX2NPC1RAB9AALDH1A1LMNA
SCHEMBL8177990 0.77 NPC1 (0.50) KDM4EPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL3869394 0.77 NPC1 (0.50) KDM4EPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL8761160 0.77 NPC1 (0.50) KDM4EPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL20583509 0.76 SMN1; SMN2 (0.46) KDM4EPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL26110369 0.76 SMN1; SMN2 (0.46) KDM4EPOLBNPC1RAB9ASMN1; SMN2

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-6013836-A PARTICULARLY ACTIVE AGAINST MOTHS AND BEETLES AND THEIR INSECT GROWTH REGULATING ACTIVITY WITHOUT ADVERSE IMPACT ON BENEFICIAL INSECTS; CROPS; FORESTRY ROHM AND HAAS COMPANY (US) 2000-01-11 — — US disclosed
US-4985461-A Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1991-01-15 — — US disclosed
Send feedback