SCHEMBL7614904

SCHEMBL7614904

C=Cc1ccc(CC(=O)CCCCCCCCCCCCCCc2cccs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 2/20 0.41
USP2 O75604 1/20 0.39
BMP1 P13497 1/20 0.38
TP53 P04637 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
CCR5 P51681 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 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
SCHEMBL4382398 0.83 POLB (0.52) POLBTSHRSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL1406138 0.81 ALDH1A1 (0.42) TSHRSMN1; SMN2ALDH1A1L3MBTL1TDP1
SCHEMBL7479624 0.76 SMN1; SMN2 (0.49) POLBTSHRSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL396520 0.75 PTGS1 (0.46) POLBTSHRALDH1A1L3MBTL1BMP1
SCHEMBL9680690 0.73 THRB (0.44) ALDH1A1MAPT
SCHEMBL27987587 0.73 TAAR1 (0.55) POLBTSHRSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL28325136 0.73 NPC1 (0.51) POLBTSHRSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL28324038 0.73 NPC1 (0.51) POLBTSHRSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL28325134 0.73 NPC1 (0.51) POLBTSHRSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL28324055 0.73 NPC1 (0.51) POLBTSHRSMN1; SMN2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0766658-B1 PROCESS FOR IMPROVING ENANTIOMERIC PURITY OF ALDEHYDES UNION CARBIDE CHEM PLASTIC (US) 2002-04-10 EP claimed
EP-0862549-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE CARBOXYLIC ACIDS UNION CARBIDE CHEM PLASTIC (US) 2000-05-31 EP claimed
EP-0600020-B1 ASYMMETRIC SYNTHESES UNION CARBIDE CHEM PLASTIC (US) 1996-01-31 EP claimed