SCHEMBL8180307

SCHEMBL8180307

CC(NNC(=O)c1ccccc1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ SCN1A P35498 1/20 0.50
▸ SCN2A Q99250 1/20 0.50
▸ SCN3A Q9NY46 1/20 0.50
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ EPHX2 P34913 3/20 0.47
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ KCNK3 O14649 1/20 0.45

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
SCHEMBL8167085 0.94 EPHX2 (0.51) LMNANPC1RAB9AEPHX2SMN1; SMN2
SCHEMBL27666301 0.84 TAS1R3 (0.55) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL27666303 0.84 TAS1R3 (0.55) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL15989223 0.81 METAP2 (0.48) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL8174021 0.79 MEN1 (0.53) LMNACYP1A2NPC1RAB9AEPHX2
SCHEMBL20583729 0.78 RAB9A (0.46) NPC1RAB9ASMN1; SMN2CYP2C9MEN1
SCHEMBL5394237 0.78 PTGS2 (0.67) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL10719116 0.78 LMNA (0.46) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL8173186 0.77 POLB (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6639389 0.77 RAB9A (0.61) CYP1A2NPC1RAB9AEPHX2SMN1; 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 1 patent. 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
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