SCHEMBL9506738

SCHEMBL9506738

O=C1OC(Cl)(Cl)c2cc(Cl)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.42
AKR1A1 P14550 2/20 0.42
AKR1B1 P15121 2/20 0.42
S100A4 P26447 2/20 0.42
AVPR1A P37288 1/20 0.40
PDK2 Q15119 2/20 0.39
CES1 P23141 2/20 0.39
CFTR P13569 1/20 0.39
GOPC Q9HD26 1/20 0.39
METAP1 P53582 1/20 0.37
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
TGM2 P21980 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ESR1 P03372 1/20 0.35
TP53 P04637 1/20 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
SCHEMBL9503899 0.76 CES1 (0.35) CES1ALDH1A1TYMSCYP3A4HSD17B10
SCHEMBL2892505 0.75 CFTR (0.53) S100A4CFTRGOPCLMNANPSR1
SCHEMBL29963323 0.75 CFTR (0.53) S100A4CFTRGOPCLMNANPSR1
SCHEMBL10710575 0.73 MAPT (0.55) AKR1A1AKR1B1S100A4PDK2CFTR
SCHEMBL11823991 0.73 PDK2 (0.44) PPOXAKR1A1AKR1B1S100A4AVPR1A
SCHEMBL3839131 0.72 AVPR1A (0.50) PPOXAKR1A1AKR1B1AVPR1ACYP11B1
SCHEMBL11837675 0.72 PDK2 (0.39) PPOXAKR1A1AKR1B1AVPR1APDK2
SCHEMBL5517802 0.70 FTO (0.58) AKR1A1AKR1B1CFTRGOPCLMNA
SCHEMBL11011777 0.69 CFTR (0.44) AKR1A1AKR1B1S100A4PDK2CFTR
SCHEMBL9506034 0.68 NPSR1 (0.41) AVPR1APDK2METAP1LMNANPSR1

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