SCHEMBL7106590

SCHEMBL7106590

CC(C)(C)c1cc(Cc2cc(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(O)c(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2)cc(C(C)(C)C)c1O.Cc1c(C)c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c(C)c1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 2/20 0.54
▸ HIF1A Q16665 5/20 0.51
▸ CYP2C9 P11712 4/20 0.51
▸ CYP2C19 P33261 4/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ DHFR P00374 1/20 0.47
▸ TP53 P04637 2/20 0.45
▸ ALDH1A1 P00352 8/20 0.45
▸ TSHR P16473 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ CA2 P00918 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ TYR P14679 1/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ BLM P54132 2/20 0.44
▸ KMT2A Q03164 2/20 0.44

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
SCHEMBL39543 0.90 HSPA5 (0.65) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL76570 0.90 ALDH1A1 (0.54) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL9765625 0.88 ALDH1A1 (0.52) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL4558428 0.88 ALDH1A1 (0.52) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL10424192 0.87 DHFR (0.49) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL1433745 0.86 HSPA5 (0.56) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL20272914 0.86 ALDH1A1 (0.50) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL9475140 0.86 HSPA5 (0.70) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL49284 0.86 ALDH1A1 (0.54) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL11343392 0.85 ALDH1A1 (0.49) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770731-B2 MELT POLYMERIZED BRANCHED POLYCARBONATE WITH NON-NEWTONIAN FLOW BEHAVIOR: GOOD FLOWABILITY AT HIGH SHEAR RATES, AND IS NOT LESS FLOWABLE THAN UNBRANCHED POLYCARBONATE AT LOW SHEAR RATES BAYER AKTIENGESELLSCHAFT (DE) 2004-08-03 — — US disclosed
EP-0137395-A2 4-(Hydroxyphenylthio)-benzoates CIBA-GEIGY AG (CH) 1985-04-17 — — EP disclosed
EP-0116517-A1 Ester or anhydride of substituted 4-(hydroxyphenyl-thio)-succinic acid CIBA-GEIGY AG (CH) 1984-08-22 — — EP disclosed
EP-0113318-A1 (4-Hydroxyphenylthio)-imide stabilizers CIBA-GEIGY AG (CH) 1984-07-11 — — EP disclosed
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