SCHEMBL11057308

SCHEMBL11057308

CC(=O)Oc1ccc(I)c(Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
CFD P00746 2/20 0.44
HSD17B10 Q99714 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
HPGD P15428 2/20 0.43
ESR1 P03372 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HMGB1 P09429 1/20 0.43
GGT1 P19440 1/20 0.43
BLM P54132 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
CYP3A4 P08684 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL31612516 0.80 KDM4E (0.50) KDM4ETSHRALDH1A1GAARAB9A
SCHEMBL8860109 0.80 KDM4E (0.50) KDM4ETSHRALDH1A1GAARAB9A
SCHEMBL6137016 0.80 TSHR (0.53) KDM4ETSHRALDH1A1GAARAB9A
SCHEMBL24195886 0.79 KDM4E (0.47) KDM4ETSHRALDH1A1GAARAB9A
SCHEMBL6692079 0.79 CFD (0.56) KDM4ETSHRALDH1A1GAARAB9A
SCHEMBL27966057 0.77 KDM4E (0.42) KDM4ETSHRALDH1A1GAARAB9A
SCHEMBL27748350 0.76 ABCB11 (0.46) KDM4ETSHRALDH1A1GAARAB9A
SCHEMBL11057310 0.76 KDM4E (0.46) KDM4ETSHRALDH1A1GAARAB9A
SCHEMBL10717011 0.76 POLB (0.40) KDM4ETSHRALDH1A1GAARAB9A
SCHEMBL10448816 0.75 KDM4E (0.53) KDM4ETSHRALDH1A1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4428907-A Detector for detecting air components NEDERLANDSE CENTRALE ORGANIZATIE VOOR TOEGEPAST NATUURWETENSCHAPPELIJK ONDERZOEK (NL) 1984-01-31 US disclosed
EP-0035311-A2 A detector for detecting air components DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1981-09-09 EP disclosed