SCHEMBL27940394

SCHEMBL27940394

CCC(C)(OC(=O)CO)c1ccccc1COc1cc(C)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.43
▸ FFAR1 O14842 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ TSHR P16473 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ PPARA Q07869 2/20 0.40
▸ TTR P02766 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C8 P10632 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ SLCO1B3 Q9NPD5 1/20 0.40
▸ CISD1 Q9NZ45 1/20 0.40
▸ SLCO1B1 Q9Y6L6 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 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
SCHEMBL28038056 0.89 FFAR1 (0.43) FFAR1FFAR4TDP1CYP1A2PTGDR2
SCHEMBL28038435 0.88 CYP2C9 (0.45) CYP2C9FFAR1FFAR4SMN1; SMN2TSHR
SCHEMBL27434536 0.80 CYP2C9 (0.52) CYP2C9FFAR1FFAR4SMN1; SMN2TSHR
SCHEMBL28084205 0.77 CYP2C9 (0.47) CYP2C9FFAR1FFAR4SMN1; SMN2TSHR
SCHEMBL12894351 0.77 SMN1; SMN2 (0.46) CYP2C9FFAR1FFAR4SMN1; SMN2TSHR
SCHEMBL18241048 0.77 CYP2C9 (0.54) CYP2C9FFAR1FFAR4SMN1; SMN2TSHR
SCHEMBL27403177 0.76 CYP2C9 (0.44) CYP2C9FFAR1FFAR4SMN1; SMN2TSHR
SCHEMBL28038052 0.76 FFAR1 (0.43) FFAR1FFAR4SMN1; SMN2TDP1CYP1A2
SCHEMBL28038050 0.75 PPARA (0.40) CYP2C9SMN1; SMN2TSHRTDP1PPARA
SCHEMBL28038046 0.75 ALDH1A1 (0.43) CYP2C9FFAR1FFAR4SMN1; SMN2TSHR

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
CN-103641731-B The manufacture method of phenylacetyl amine compound SUMITOMO CHEMICAL CO., LTD. (JP) 2015-10-28 — — CN disclosed
CN-103588657-A Method for producing phenylacetamide compound SUMITOMO CHEMICAL CO 2014-02-19 — — CN disclosed
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