SCHEMBL4405136

SCHEMBL4405136

O=[Se](O)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BBOX1 O75936 1/20 0.55
▸ EHMT2 Q96KQ7 1/20 0.55
▸ EHMT1 Q9H9B1 1/20 0.55
▸ LMNA P02545 2/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ CES2 O00748 3/20 0.42
▸ CES1 P23141 3/20 0.42
▸ TSHR P16473 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ HDAC4 P56524 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ MAPK1 P28482 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ENPP2 Q13822 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SRD5A2 P31213 1/20 0.36

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
SCHEMBL28599012 0.77 LMNA (0.50) LMNACYP2A6CES2CES1TSHR
SCHEMBL28189493 0.72 BBOX1 (0.55) BBOX1EHMT2EHMT1LMNACYP2A6
Benzene Selenoic Acid SCHEMBL27636752 0.69 BBOX1 (0.94) BBOX1EHMT2EHMT1CES2CES1
Benzene Selenoic Acid SCHEMBL28844455 0.69 BBOX1 (0.94) BBOX1EHMT2EHMT1CES2CES1
Benzene Selenoic Acid SCHEMBL8752795 0.69 BBOX1 (0.94) BBOX1EHMT2EHMT1CES2CES1
SCHEMBL10866382 0.67 BBOX1 (0.48) BBOX1EHMT2EHMT1CYP2A6CA2
1,4-Dichlorobenzene SCHEMBL11243685 0.67 — —
1,4-Dichlorobenzene SCHEMBL5191 0.67 — —
1,4-Dichlorobenzene SCHEMBL28270432 0.65 TSHR (0.67) LMNACYP2A6CES2CES1TSHR
1,4-Dichlorobenzene SCHEMBL29137104 0.64 LMNA (0.73) LMNACYP2A6CES2CES1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635491-B2 Method for administering selenium for treating patients suffering from systemic inflammatory response syndrome (SIRS), and composition for implementing the treatment Forceville, Xavier (FR) 2009-12-22 — — US disclosed
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