SCHEMBL9502981

SCHEMBL9502981

CC(C)(C)c1ccc2c(c1)C(=O)OC2(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 2/20 0.46
CASP3 P42574 2/20 0.46
RAB9A P51151 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
PLA2G1B P04054 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
CYP19A1 P11511 1/20 0.40
NR1H3 Q13133 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 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
SCHEMBL9506034 0.77 NPSR1 (0.41) ALDH1A1CYP19A1HPGDHSD17B10TDP1
SCHEMBL9506749 0.73 ALDH1A1 (0.63) ALDH1A1RAB9AL3MBTL1HPGDHSD17B10
SCHEMBL27638685 0.72 ALDH1A1 (0.42) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL12680663 0.71 ALDH1A1 (0.47) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL28193180 0.71 ALDH1A1 (0.41) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL14486722 0.70 FTO (0.67) ALDH1A1HPGDHSD17B10TDP1CYP3A4
SCHEMBL20470017 0.70 FTO (0.63) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL2892505 0.70 CFTR (0.53) ALDH1A1L3MBTL1HPGDHSD17B10TDP1
SCHEMBL11831669 0.68 ALDH1A1 (0.44) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL9503899 0.67 CES1 (0.35) ALDH1A1HPGDHSD17B10TDP1CYP3A4

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