SCHEMBL28038432

SCHEMBL28038432

Cc1ccccc1OCc1ccccc1[C@@H](O)C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
SGMS2 Q8NHU3 4/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP1A2 P05177 3/20 0.44
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
LMNA P02545 4/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CDK4 P11802 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
SCHEMBL1900216 1.00 ALOX15 (0.44) ALOX15SGMS2KDM4ECYP1A2ALDH1A1
SCHEMBL27808425 0.88 SMN1; SMN2 (0.41) SGMS2CYP1A2ALDH1A1MAPTLMNA
SCHEMBL1200636 0.88 SMN1; SMN2 (0.41) SGMS2CYP1A2ALDH1A1MAPTLMNA
SCHEMBL15375379 0.87 SGMS2 (0.38) SGMS2KDM4ECYP1A2ALDH1A1MAPT
SCHEMBL9667361 0.87 L3MBTL1 (0.42) SGMS2CYP1A2ALDH1A1MAPTLMNA
SCHEMBL27940440 0.87 L3MBTL1 (0.42) SGMS2CYP1A2ALDH1A1MAPTLMNA
SCHEMBL15375461 0.86 MAPT (0.46) SGMS2KDM4ECYP1A2ALDH1A1MAPT
SCHEMBL15375561 0.86 TSHR (0.42) SGMS2CYP1A2MAPTLMNAKMT2A
SCHEMBL15375445 0.86 NISCH (0.43) SGMS2KDM4ECYP1A2ALDH1A1LMNA
SCHEMBL28038431 0.86 TSHR (0.42) SGMS2CYP1A2MAPTLMNAKMT2A

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-102131761-B Process for producing alpha-hydroxy ester compound 住友化学株式会社 2016-09-28 CN disclosed
CN-103641731-B The manufacture method of phenylacetyl amine compound SUMITOMO CHEMICAL CO., LTD. (JP) 2015-10-28 CN disclosed