SCHEMBL11580271

SCHEMBL11580271

CC(C)(C)c1cc(CCC(N)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.53
ALDH1A1 P00352 8/20 0.50
TSHR P16473 3/20 0.50
LMNA P02545 2/20 0.50
KMT2A Q03164 4/20 0.49
MAPK1 P28482 3/20 0.49
MEN1 O00255 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
BLM P54132 2/20 0.49
ATM Q13315 2/20 0.49
HIF1A Q16665 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GMNN O75496 1/20 0.49
GABBR2 O75899 1/20 0.49
TP53 P04637 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL11580422 0.91 GAA (0.46) GAAALDH1A1TSHRLMNAKMT2A
SCHEMBL11435221 0.87 GAA (0.51) GAAALDH1A1TSHRLMNAKMT2A
SCHEMBL11580110 0.83 ALDH1A1 (0.52) GAAALDH1A1TSHRLMNAKMT2A
SCHEMBL1087162 0.83 ALDH1A1 (0.52) GAAALDH1A1TSHRLMNAKMT2A
SCHEMBL284696 0.82 ALDH1A1 (0.63) GAAALDH1A1TSHRLMNAKMT2A
SCHEMBL10548340 0.81 ALDH1A1 (0.50) GAAALDH1A1TSHRLMNAKMT2A
SCHEMBL10636441 0.80 ALDH1A1 (0.49) GAAALDH1A1TSHRLMNAKMT2A
SCHEMBL9720188 0.80 GAA (0.55) GAAALDH1A1TSHRLMNAKMT2A
SCHEMBL16270985 0.79 ALDH1A1 (0.47) GAAALDH1A1TSHRLMNAKMT2A
SCHEMBL11722702 0.79 ALDH1A1 (0.47) GAAALDH1A1TSHRLMNAKMT2A

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-4098764-A STABILIZERS UNIROYAL, INC. (US) 1978-07-04 US disclosed
US-3996194-A STABILIZERS UNIROYAL INC. (US) 1976-12-07 US disclosed