SCHEMBL11245138

SCHEMBL11245138

CCC1(CC)COC(c2cccc(N(C)C(N)=O)c2)OC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ SOAT1 P35610 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SIGMAR1 Q99720 8/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ HTR3E A5X5Y0 1/20 0.31
▸ HTR3B O95264 1/20 0.31
▸ HTR3A P46098 1/20 0.31
▸ HTR3D Q70Z44 1/20 0.31
▸ HTR3C Q8WXA8 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL11248901 0.74 MEN1 (0.40) KDM1AMAOAMAOBSOAT1MEN1
SCHEMBL11245169 0.71 TSHR (0.43) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL15572564 0.66 SMN1; SMN2 (0.49) SOAT1MEN1CYP2C19KMT2ABRD4
SCHEMBL4812907 0.66 MEN1 (0.55) KDM1AMAOAMAOBSOAT1MEN1
SCHEMBL16710757 0.66 SOAT1 (0.38) SOAT1MEN1CYP2C19KMT2ABRD4
SCHEMBL27493554 0.65 MTNR1A (0.42) SIGMAR1NPC1RAB9AALDH1A1
SCHEMBL15615835 0.65 NPC1 (0.48) SOAT1MEN1CYP2C19KMT2ABRD4
SCHEMBL214884 0.64 ALDH1A1 (0.59) PARP1TSHRSIGMAR1HTR3EHTR3B
SCHEMBL25751951 0.64 SIGMAR1 (0.58) PARP1CYP2C19TSHRSIGMAR1MAPK1
SCHEMBL8884787 0.64 SIGMAR1 (0.50) TSHRSIGMAR1HTR3EHTR3BHTR3A

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-4331466-A POST EMERGENCE POST FLOOD WEED CONTROL STAUFFER CHEMICAL COMPANY (US) 1982-05-25 — — US disclosed
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