SCHEMBL7923034

SCHEMBL7923034

[CH]Oc1cc(C)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 5/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP2C9 P11712 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 2/20 0.39
TTR P02766 1/20 0.39
CYP2C8 P10632 1/20 0.39
CHRM1 P11229 1/20 0.39
ADRA1A P35348 1/20 0.39
PPARG P37231 1/20 0.39
HTR2B P41595 1/20 0.39
PPARA Q07869 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
CISD1 Q9NZ45 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39

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
SCHEMBL7923031 1.00 ACHE (0.46) ACHETSHRTDP1ALDH1A1CYP2C9
SCHEMBL7926838 0.80 ACHE (0.46) ACHETSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL7926840 0.80 ACHE (0.46) ACHETSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL3278966 0.79 ACHE (0.50) ACHETSHRTDP1ALDH1A1CYP2C9
SCHEMBL30167567 0.77 ACHE (0.68) ACHETSHRTDP1ALDH1A1CYP2C9
SCHEMBL92174 0.77 ACHE (0.68) ACHETSHRTDP1ALDH1A1CYP2C9
SCHEMBL7921257 0.76 MAPT (0.50) ACHETDP1ALDH1A1CYP2C9LMNA
SCHEMBL7921254 0.76 MAPT (0.50) ACHETDP1ALDH1A1CYP2C9LMNA
SCHEMBL3288769 0.75 ACHE (0.46) ACHETSHRTDP1ALDH1A1CYP2C9
SCHEMBL7921243 0.75 ALDH1A1 (0.42) ACHEALDH1A1LMNAHTTSMN1; 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-6274586-B1 SYNERGISTIC MIXTURE WITH METHYL (N-METHOXY)-PHENYLCARBAMATE DERIVATIVE BASF AKTIENGESELLSCHAFT (DE) 2001-08-14 US claimed
US-6221808-B1 Method for controlling parasitic fungi in cultivated plants BASF AKTIENGESELLSCHAFT (DE) 2001-04-24 US claimed