SCHEMBL21886157

SCHEMBL21886157

Cc1c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Cc2cc(C(C)(C)C)c(N=O)c(C(C)(C)C)c2)c(C)c1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.42
▸ HIF1A Q16665 5/20 0.42
▸ TSHR P16473 3/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ BLM P54132 2/20 0.42
▸ ATM Q13315 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ DHFR P00374 1/20 0.41
▸ HSPA5 P11021 2/20 0.40
▸ CYP2C9 P11712 4/20 0.39
▸ CYP2C19 P33261 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ TP53 P04637 2/20 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
SCHEMBL17072785 0.92 ALDH1A1 (0.46) ALDH1A1HIF1ATSHRMAPK1MEN1
SCHEMBL12018220 0.92 ALDH1A1 (0.46) ALDH1A1HIF1ATSHRMAPK1MEN1
SCHEMBL10424192 0.89 DHFR (0.49) ALDH1A1HIF1ATSHRMAPK1MEN1
SCHEMBL20245664 0.83 ALDH1A1 (0.40) ALDH1A1HIF1ATSHRMAPK1MEN1
SCHEMBL76570 0.79 ALDH1A1 (0.54) ALDH1A1HIF1ATSHRMAPK1MEN1
SCHEMBL49284 0.79 ALDH1A1 (0.54) ALDH1A1HIF1ATSHRMAPK1MEN1
SCHEMBL13809502 0.78 HSPA5 (0.43) ALDH1A1HIF1ATSHRMAPK1MEN1
SCHEMBL4558428 0.77 ALDH1A1 (0.52) ALDH1A1HIF1ATSHRMAPK1MEN1
Calcium SCHEMBL30526370 0.77 ALDH1A1 (0.52) ALDH1A1HIF1ATSHRMAPK1MEN1
SCHEMBL9765625 0.77 ALDH1A1 (0.52) ALDH1A1HIF1ATSHRMAPK1MEN1

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
WO-2020066535-A1 FLAME-RETARDANT POLYCARBONATE RESIN COMPOSITION 帝人株式会社 2020-04-02 — — WO disclosed
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