SCHEMBL8195105

SCHEMBL8195105

[CH2]SC(O)(C(=O)O)c1ccccc1COc1cc(C)ccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ PPARA Q07869 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ TTR P02766 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C8 P10632 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ PPARG P37231 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ SLCO1B3 Q9NPD5 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CISD1 Q9NZ45 1/20 0.47
▸ SLCO1B1 Q9Y6L6 1/20 0.47
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ FFAR1 O14842 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ LMNA P02545 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
SCHEMBL18241048 0.86 CYP2C9 (0.54) CYP2C9SMN1; SMN2PPARATSHRTTR
SCHEMBL27434536 0.81 CYP2C9 (0.52) CYP2C9SMN1; SMN2PPARATSHRTTR
SCHEMBL28084205 0.79 CYP2C9 (0.47) CYP2C9SMN1; SMN2PPARATSHRTTR
SCHEMBL12894351 0.79 SMN1; SMN2 (0.46) CYP2C9SMN1; SMN2PPARATSHRTTR
SCHEMBL27437488 0.76 SMN1; SMN2 (0.46) CYP2C9SMN1; SMN2PPARATSHRTTR
SCHEMBL28038435 0.76 CYP2C9 (0.45) CYP2C9SMN1; SMN2PPARATSHRTTR
SCHEMBL27403177 0.75 CYP2C9 (0.44) CYP2C9SMN1; SMN2PPARATSHRTTR
SCHEMBL7524483 0.74 PPARA (0.44) CYP2C9SMN1; SMN2PPARATSHRTTR
Propionic Acid SCHEMBL28830277 0.74 CYP2C9 (0.44) CYP2C9SMN1; SMN2PPARATSHRTTR
SCHEMBL8592978 0.74 SMN1; SMN2 (0.54) CYP2C9SMN1; SMN2PPARATSHRTTR

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-6054621-A FOR CONTROLLING PESTS BAYER AKTIENGESELLSCHAFT (DE) 2000-04-25 — — US disclosed
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