SCHEMBL29939280

SCHEMBL29939280

CC(C)(C)c1ccc(OP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c2ccc(P(Oc3ccc(C(C)(C)C)cc3C(C)(C)C)Oc3ccc(C(C)(C)C)cc3C(C)(C)C)cc2)c(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
APEX1 P27695 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 4/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 2/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RECQL P46063 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 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
SCHEMBL9298561 1.00 CA1 (0.38) CA1CA2CA9APEX1KDM4E
SCHEMBL13574881 0.98 CA1 (0.37) CA1CA2CA9APEX1KDM4E
SCHEMBL205802 0.95 CA1 (0.35) CA1CA2CA9APEX1KDM4E
SCHEMBL29355846 0.95 CA1 (0.35) CA1CA2CA9APEX1KDM4E
SCHEMBL10039495 0.94 TSHR (0.42) CA1CA2CA9APEX1KDM4E
SCHEMBL21922592 0.92 APEX1 (0.38) CA1CA2CA9APEX1KDM4E
SCHEMBL9298566 0.92 PTGDR2 (0.38) CA1CA2CA9APEX1KDM4E
SCHEMBL7115234 0.92 APEX1 (0.39) CA1CA2CA9APEX1KDM4E
SCHEMBL31556870 0.92 APEX1 (0.39) CA1CA2CA9APEX1KDM4E
SCHEMBL7621153 0.91 CA1 (0.33) CA1CA2CA9APEX1KDM4E

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-2022230294-A1 RESIN COMPOSITION FOR MOLDED ARTICLE PAINTED WITH WATER-BASED PAINT AND MOLDED ARTICLE MOLDED FROM SAME デンカ株式会社 2022-11-03 WO disclosed
WO-2022224686-A1 RESIN COMPOSITION AND MOLDED ARTICLE デンカ株式会社 2022-10-27 WO disclosed