SCHEMBL6904685

SCHEMBL6904685

Cc1cc(CCC=O)ccc1Br

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.37
FFAR4 Q5NUL3 2/20 0.35
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 5/20 0.34
RAB9A P51151 4/20 0.34
MEN1 O00255 3/20 0.34
POLB P06746 3/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 2/20 0.31

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
SCHEMBL585480 0.82 CNR1 (0.39) SKP2ALDH1A1KMT2AMEN1POLB
SCHEMBL9818295 0.82 PTPRC (0.33)
SCHEMBL2723303 0.82 ALDH1A1 (0.37) ALDH1A1KMT2ARAB9AMEN1POLB
SCHEMBL13284833 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL17713470 0.78 PARP1 (0.34) FFAR4
SCHEMBL6373228 0.78 ESR1 (0.57) ALDH1A1KDM4EGAAMAPTTDP1
SCHEMBL1257233 0.78 DAO (0.49) FFAR4
SCHEMBL17295163 0.77 ATM (0.42) ALDH1A1POLBKDM4EMAPTSMN1; SMN2
SCHEMBL2586904 0.76 ADH1B (0.46) ALDH1A1KMT2ARAB9AMEN1POLB
SCHEMBL18353303 0.76 SKP2 (0.50) SKP2FFAR4ALDH1A1KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946478-A4 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES, OXIMES, AMINES AND HYDROXAMIC ACID COMPOUNDS AVENTIS PHARM PROD INC (US) 2004-09-08 EP disclosed
EP-1089958-A4 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDE, KETONE, OXIME, AMINE, HYDROXAMIC ACID AND ALPHA,BETA-UNSATURATED CARBOXYLIC ACID AND ALDEHYDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2002-10-09 EP disclosed
EP-1089958-A2 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDE, KETONE, OXIME, AMINE, HYDROXAMIC ACID AND ALPHA,BETA-UNSATURATED CARBOXYLIC ACID AND ALDEHYDE COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-04-11 EP disclosed
WO-1999067192-A2 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDE, KETONE, OXIME, AMINE, HYDROXAMIC ACID AND α,β-UNSATURATED CARBOXYLIC ACID AND ALDEHYDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-29 WO disclosed
EP-0946478-A1 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES, OXIMES, AMINES AND HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-10-06 EP disclosed
WO-1998029376-A1 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES, OXIMES, AMINES AND HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-07-09 WO disclosed