SCHEMBL8529516

SCHEMBL8529516

Cc1ccc2cc(C(=O)O)ccc2c1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
HPGD P15428 2/20 0.58
HSD17B10 Q99714 2/20 0.58
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
PTPN1 P18031 1/20 0.49
TDP1 Q9NUW8 3/20 0.46
GRM1 Q13255 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 2/20 0.44
MAPT P10636 2/20 0.42
GRIN2D O15399 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2C Q14957 1/20 0.41
MYC P01106 1/20 0.40
ESR1 P03372 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL1476496 0.83 PTPN1 (0.49) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL18936286 0.82 PTPN1 (0.51) ALDH1A1KDM4EHPGDHSD17B10PTPN1
SCHEMBL30218705 0.82 PTPN1 (0.51) ALDH1A1KDM4EHPGDHSD17B10PTPN1
SCHEMBL6007565 0.82 PTPN1 (0.51) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL11591905 0.81 PTPN1 (0.50) ALDH1A1KDM4EHPGDHSD17B10PTPN1
SCHEMBL5800894 0.81 PTPN1 (0.59) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL29364605 0.81 PTPN1 (0.59) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL22289736 0.79 PTPN1 (0.49) ALDH1A1KDM4EHPGDHSD17B10PTPN1
SCHEMBL7088722 0.79 PTPN1 (0.64) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL9119115 0.77 PTPN1 (0.53) ALDH1A1KDM4EHPGDHSD17B10GAA

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
US-5795971-A FOR PAPER, CELLULOSE BAYER AKTIENGESELLSCHAFT (DE) 1998-08-18 US disclosed
EP-0827984-A1 Amino lower alkylnaphthaline carboxylic acid dyestuffs BAYER AG (DE) 1998-03-11 EP disclosed