SCHEMBL28038056

SCHEMBL28038056

CCC(C)(OC(=O)CO)c1ccccc1COc1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.43
▸ FFAR4 Q5NUL3 2/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RXRA P19793 2/20 0.40
▸ RXRB P28702 2/20 0.40
▸ RXRG P48443 2/20 0.40
▸ RECQL P46063 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL27940394 0.89 CYP2C9 (0.43) FFAR1FFAR4MEN1KMT2APTGDR2
SCHEMBL28038052 0.86 FFAR1 (0.43) FFAR1FFAR4MEN1KMT2ARXRA
SCHEMBL28038435 0.75 CYP2C9 (0.45) FFAR1FFAR4MEN1KMT2APTGDR2
SCHEMBL28084226 0.75 CDK4 (0.46) FFAR1FFAR4MEN1KMT2ARXRA
SCHEMBL17328307 0.75 RXRA (0.49) FFAR1FFAR4MEN1KMT2ARXRA
SCHEMBL12894353 0.74 CDK4 (0.44) FFAR1FFAR4MEN1KMT2ARXRA
SCHEMBL28038035 0.74 FFAR4 (0.41) FFAR1FFAR4MEN1KMT2ARXRA
SCHEMBL13154275 0.73 FFAR1 (0.57) FFAR1FFAR4MEN1KMT2ARXRA
SCHEMBL28038039 0.73 KMT2A (0.43) FFAR1FFAR4MEN1KMT2ARXRA
SCHEMBL29787367 0.70 FFAR1 (0.44) FFAR1FFAR4MEN1KMT2ARXRA

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-103588657-B The manufacture method of phenylacetyl amines 住友化学株式会社 2016-06-22 — — CN disclosed
CN-103641731-B The manufacture method of phenylacetyl amine compound SUMITOMO CHEMICAL CO., LTD. (JP) 2015-10-28 — — CN disclosed
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