SCHEMBL6571504

SCHEMBL6571504

O=C(O)[C@H](Cc1ccccc1)N1CCCC1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
PKM P14618 1/20 0.63
MAPT P10636 2/20 0.55
ALOX15 P16050 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 3/20 0.52
HSD17B10 Q99714 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTPN7 P35236 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL9074064 1.00 ALDH1A1 (0.63) ALDH1A1PKMMAPTALOX15SMN1; SMN2
SCHEMBL19621077 1.00 ALDH1A1 (0.63) ALDH1A1PKMMAPTALOX15SMN1; SMN2
SCHEMBL9074197 0.95 ALDH1A1 (0.61) ALDH1A1PKMMAPTALOX15SMN1; SMN2
SCHEMBL20905926 0.88 ALDH1A1 (0.49) ALDH1A1PKMMAPTALOX15SMN1; SMN2
SCHEMBL9057388 0.87 MC4R (0.51) ALDH1A1PKMMAPTALOX15SMN1; SMN2
SCHEMBL9058043 0.86 MEN1 (0.53) ALDH1A1PKMMAPTALOX15SMN1; SMN2
SCHEMBL20905732 0.84 NR4A2 (0.49) ALDH1A1PKMSMN1; SMN2L3MBTL1TSHR
SCHEMBL10431712 0.83 ALDH1A1 (0.57) ALDH1A1PKMMAPTALOX15SMN1; SMN2
SCHEMBL6386661 0.83 ALDH1A1 (0.90) ALDH1A1PKMMAPTALOX15SMN1; SMN2
SCHEMBL12972632 0.82 KDM4E (0.49) ALDH1A1PKMMAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019364-B1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE BIOVITRUM AB (SE) 2004-06-09 EP disclosed
US-6410585-B1 THERAPY FOR NON-INSULIN DEPEND DIABETES BIOVITRUM AB (SE) 2002-06-25 US disclosed
US-6353023-B1 AROMATIC COMPOUNDS WITH AMIDE GROUPS PHARMACIA & UPJOHN COMPANY 2002-03-05 US disclosed
EP-1019364-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PHARMACIA & UPJOHN COMPANY (US) 2000-07-19 EP disclosed
WO-1999011606-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PHARMACIA & UPJOHN COMPANY (US) 1999-03-11 WO disclosed