SCHEMBL3208606

SCHEMBL3208606

Cc1cc(C)cc(C(=O)N=C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.48
HCAR1 Q9BXC0 1/20 0.38
HPGD P15428 1/20 0.37
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
C1S P09871 1/20 0.37
PRSS3 P35030 1/20 0.37
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
THRB P10828 1/20 0.32
PARP1 P09874 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL1789230 0.84
SCHEMBL5825205 0.81 TPMT (0.46) TPMTHCAR1HPGDALDH1A1NPSR1
SCHEMBL4092403 0.80 PARP1 (0.53) HPGDNPC1RAB9AMAPTKMT2A
SCHEMBL811028 0.78 ALDH1A1 (0.50) HPGDALDH1A1NPSR1NPC1RAB9A
SCHEMBL3890997 0.78 TPMT (0.43) TPMTHCAR1HPGDALDH1A1NPSR1
SCHEMBL15172358 0.75 TPMT (0.54) TPMTHCAR1HPGDALDH1A1NPSR1
SCHEMBL6162544 0.74 TPMT (0.48) TPMTHCAR1RXRARXRBRAB9A
SCHEMBL3393415 0.74 TP53 (0.36) HPGDALDH1A1MAPTTSHR
SCHEMBL6601486 0.72 TPMT (0.57) TPMTHCAR1HPGDALDH1A1NPSR1
SCHEMBL3395919 0.71 L3MBTL1 (0.43) HPGDTSHRKMT2APARP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3932927-B1 METAL COMPLEX AND COMPOSITION INCLUDING SAID METAL COMPLEX SUMITOMO CHEMICAL CO (JP) 2023-09-27 EP disclosed
EP-3932927-A1 METAL COMPLEX AND COMPOSITION INCLUDING SAID METAL COMPLEX SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2022-01-05 EP disclosed
EP-2208519-B1 Agent for separating optical isomers DAICEL CHEM (JP) 2012-08-29 EP disclosed
EP-2208519-A1 Agent for separating optical isomers Daicel Chemical Industries, Ltd. (JP) 2010-07-21 EP disclosed
EP-1618949-B1 AGENT FOR SEPARATING OPTICAL ISOMERS DAICEL CHEM (JP) 2010-06-16 EP disclosed
US-7683167-B2 Separating agent for enantiomeric isomers DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-23 US disclosed
CN-100364661-C Agent for separating optical isomers DAICEL CHEM (JP) 2008-01-30 CN disclosed
US-20070039890-A1 Separating agent for enantiomeric isomers DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-02-22 US disclosed
CN-1758958-A Agent for separating optical isomers DAICEL CHEM (JP) 2006-04-12 CN disclosed
EP-1618949-A2 AGENT FOR SEPARATING OPTICAL ISOMERS Daicel Chemical Industries, Ltd. (JP) 2006-01-25 EP disclosed
US-4150158-A Oxadiazindione derivatives useful as insecticides IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-04-17 US disclosed