SCHEMBL4391047

SCHEMBL4391047

CCCCOS(=O)(=O)c1ccccc1.CCOS(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.49
ABCB1 P08183 3/20 0.48
TDP1 Q9NUW8 1/20 0.45
PSIP1 O75475 1/20 0.42
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
HPGD P15428 1/20 0.41
ABCC1 P33527 1/20 0.41
LTA4H P09960 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL346204 0.95 TSHR (0.53) ALDH1A1TSHRABCB1TDP1PSIP1
SCHEMBL30669866 0.95 TSHR (0.53) ALDH1A1TSHRABCB1TDP1PSIP1
Ammonia Solution, Strong SCHEMBL23749186 0.93 TSHR (0.51) ALDH1A1TSHRABCB1TDP1PSIP1
SCHEMBL5265502 0.93 TSHR (0.51) ALDH1A1TSHRABCB1TDP1PSIP1
SCHEMBL28275888 0.93 TSHR (0.51) ALDH1A1TSHRABCB1TDP1PSIP1
SCHEMBL27994935 0.93 TSHR (0.51) ALDH1A1TSHRABCB1TDP1PSIP1
SCHEMBL537767 0.89 ABCB1 (0.48) ALDH1A1TSHRABCB1TDP1PSIP1
SCHEMBL158971 0.88 ABCB1 (0.50) ALDH1A1TSHRABCB1TDP1CA2
SCHEMBL160144 0.88 ABCB1 (0.50) ALDH1A1TSHRABCB1TDP1CA2
SCHEMBL159300 0.88 ABCB1 (0.50) ALDH1A1TSHRABCB1TDP1CA2

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-0719816-B2 Preparing method of polycarbonate GEN ELECTRIC (US) 2009-12-02 EP disclosed
EP-0719816-B1 Preparing method of polycarbonate GEN ELECTRIC (US) 2001-05-23 EP disclosed
EP-0719816-A2 Preparing method of polycarbonate GENERAL ELECTRIC COMPANY (US) 1996-07-03 EP disclosed