SCHEMBL9506843

SCHEMBL9506843

Cc1cc(O)nc(O)c1CCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
HSD17B10 Q99714 3/20 0.39
GPR17 Q13304 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
P2RX3 P56373 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC6 Q9UBN7 2/20 0.36
S1PR1 P21453 1/20 0.36
EGFR P00533 2/20 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
SCHEMBL9506859 0.82 AGBL2 (0.41) HSD17B10KDM4EGAAALDH1A1GLA
SCHEMBL10485375 0.78 TKT (0.33) KDM4EALDH1A1TSHR
SCHEMBL6263548 0.76 NPSR1 (0.55) NPSR1HSD17B10GPR17THRATHRB
SCHEMBL14988768 0.74 NPSR1 (0.57) NPSR1GPR17THRATHRBKDM4E
SCHEMBL10485433 0.74 NOS3 (0.31) KDM4EALDH1A1
SCHEMBL7316886 0.72 HSD17B10 (0.40) NPSR1HSD17B10KDM4ENPC1RAB9A
SCHEMBL11472727 0.71 NPSR1 (0.50) NPSR1HSD17B10GPR17THRATHRB
SCHEMBL1964714 0.71 NPSR1 (0.53) NPSR1HSD17B10GPR17THRATHRB
SCHEMBL9164676 0.70 KDM4E (0.31) KDM4E
SCHEMBL1856540 0.69 NPSR1 (0.52) NPSR1GPR17THRATHRBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297397-B1 PREPARATION OF DIAZO AND AZO COMPOUNDS BAYER AG (DE) 1993-08-04 EP disclosed
US-4942225-A Preparation of diazo and azo compounds using azidoformamidium salts BAYER AKTIENGESELLSCHAFT (DE) 1990-07-17 US disclosed
EP-0297397-A2 Preparation of diazo and azo compounds BAYER AG (DE) 1989-01-04 EP disclosed
EP-0093306-B1 METHODS FOR THE PREPARATION OF AZO COMPOUNDS, AND AZO COMPOUNDS BAYER AG (DE) 1986-09-24 EP disclosed