SCHEMBL11074607

SCHEMBL11074607

CC(C)(C)c1cc(Cc2c(CO)c(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(CO)c(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2CO)cc(C(C)(C)C)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
TSHR P16473 4/20 0.55
MAPK1 P28482 3/20 0.55
LMNA P02545 3/20 0.55
HIF1A Q16665 3/20 0.55
MEN1 O00255 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
BLM P54132 2/20 0.55
KMT2A Q03164 2/20 0.55
ATM Q13315 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
TP53 P04637 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
ALOX15 P16050 2/20 0.55
GMNN O75496 1/20 0.55
GABBR2 O75899 1/20 0.55
NFKB1 P19838 1/20 0.55
PMP22 Q01453 1/20 0.55

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
SCHEMBL8395806 0.85 HSPA5 (0.58) ALDH1A1TSHRMAPK1LMNAHIF1A
SCHEMBL2147907 0.85 HSPA5 (0.58) ALDH1A1TSHRMAPK1LMNAHIF1A
SCHEMBL39559 0.83 ALDH1A1 (0.63) ALDH1A1TSHRMAPK1LMNAHIF1A
SCHEMBL11026220 0.83 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1LMNAHIF1A
SCHEMBL76570 0.82 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1LMNAHIF1A
SCHEMBL49284 0.82 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1LMNAHIF1A
Methylamine SCHEMBL27974836 0.82 ALDH1A1 (0.57) ALDH1A1TSHRMAPK1LMNAHIF1A
SCHEMBL20699470 0.81 HSPA5 (0.50) ALDH1A1TSHRMAPK1LMNAHIF1A
SCHEMBL42656 0.81 ALDH1A1 (0.64) ALDH1A1TSHRMAPK1LMNAHIF1A
SCHEMBL526641 0.81 ALDH1A1 (0.61) ALDH1A1TSHRMAPK1LMNAHIF1A

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
US-4424293-A TRIACRYLATE OR TRIMETHACRYLATE, DIHYDRIC OR POLYHYDRIC PHENOL THE FURUKAWA ELECTRIC CO., LTD. (JP) 1984-01-03 US disclosed
US-4367185-A USING TRIMETHYLOL PROPANE TRIACRYLATE AND TRIMETHACRYLATE AND A PHENOLIC COMPOUND HAVING AT LEAST 3 HYDROXY GROUPS THE FURUKAWA ELECTRIC CO., LTD. (JP) 1983-01-04 US disclosed