SCHEMBL9506034

SCHEMBL9506034

Cc1ccc2c(c1)C(=O)OC2(Cl)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 2/20 0.41
ELANE P08246 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
AVPR1A P37288 1/20 0.39
ROS1 P08922 1/20 0.39
CDK5 Q00535 1/20 0.39
ACVR1 Q04771 1/20 0.39
LRRK2 Q5S007 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL25865319 0.79 PPARG (0.47) NPSR1LMNAELANECA1CA2
SCHEMBL9502981 0.77 ALDH1A1 (0.46) LMNACA1CA2CA9ALDH1A1
SCHEMBL9506749 0.77 ALDH1A1 (0.63) NPSR1LMNAKDM4EALDH1A1CYP3A4
SCHEMBL29963323 0.74 CFTR (0.53) NPSR1LMNAALDH1A1CYP3A4HPGD
SCHEMBL2892505 0.74 CFTR (0.53) NPSR1LMNAALDH1A1CYP3A4HPGD
SCHEMBL26023399 0.74 AVPR1A (0.47) NPSR1LMNAELANECA1CA2
SCHEMBL9502968 0.73 FTO (0.58) CA1CA2CA9MAOAALDH1A1
SCHEMBL9503899 0.71 CES1 (0.35) ALDH1A1CYP3A4HPGDHIF1AHSD17B10
SCHEMBL12152338 0.68 ALDH1A1 (0.81) NPSR1LMNAALDH1A1CYP3A4HPGD
SCHEMBL9089041 0.68 NPSR1 (0.46) NPSR1LMNAELANECA1CA2

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-0377406-B1 PRESSURE-SENSITIVE OR HEAT-SENSITIVE RECORDING MATERIAL CIBA-GEIGY AG (CH) 1993-06-09 EP disclosed
US-5013707-A Pressure- or heat-sensitive recording material CIBA-GEIGY CORPORATION (US) 1991-05-07 US disclosed
EP-0377406-A1 Pressure-sensitive or heat-sensitive recording material CIBA-GEIGY AG (CH) 1990-07-11 EP disclosed