SCHEMBL10105403

SCHEMBL10105403

O=C(CCCC(=O)OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
DGKA P23743 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 3/20 0.34
POLB P06746 2/20 0.34
PAM P19021 2/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL508579 0.95 DGKA (0.41) TSHRDGKACYP1A2ALDH1A1POLB
SCHEMBL4078930 0.91 ALDH1A1 (0.38) TSHRDGKACYP1A2ALDH1A1POLB
SCHEMBL4069039 0.91 TSHR (0.48) TSHRCYP1A2ALDH1A1POLBPAM
SCHEMBL7439614 0.90 ADRA2A (0.37) TSHRDGKACYP1A2ALDH1A1POLB
SCHEMBL8894297 0.89 DGKA (0.33) TSHRDGKACYP1A2ALDH1A1POLB
SCHEMBL3171515 0.89 POLB (0.35) TSHRDGKACYP1A2ALDH1A1POLB
SCHEMBL9095809 0.87 DGKA (0.50) TSHRDGKACYP1A2ALDH1A1PAM
SCHEMBL26983152 0.87 LMNA (0.46) TSHRALDH1A1PAMLMNAMEN1
SCHEMBL3165640 0.87 DGKA (0.36) TSHRDGKACYP1A2ALDH1A1POLB
SCHEMBL15561379 0.85 GPR84 (0.41) TSHRDGKAALDH1A1PAMLMNA

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
WO-2012085479-A1 PROCESS FOR PREPARING PLATINUM-CARBENE COMPLEXES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-06-28 WO disclosed
WO-2012085475-A1 NOVEL PLATINUM-CARBENE COMPLEXES AND USE THEREOF AS MEDICAMENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-06-28 WO disclosed