SCHEMBL9544866

SCHEMBL9544866

CC(C)(C)c1cc(N)cc(C(C)(C)C)c1O.CC(C)(N)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
TSHR P16473 3/20 0.59
MAPK1 P28482 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
BLM P54132 2/20 0.59
ATM Q13315 2/20 0.59
HIF1A Q16665 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
LMNA P02545 2/20 0.59
GMNN O75496 1/20 0.59
GABBR2 O75899 1/20 0.59
TP53 P04637 1/20 0.59
CYP2C9 P11712 1/20 0.59
ALOX15 P16050 1/20 0.59
NFKB1 P19838 1/20 0.59
CYP2C19 P33261 1/20 0.59
PMP22 Q01453 1/20 0.59

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
SCHEMBL3678396 0.94 ALDH1A1 (0.66) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL9546317 0.90 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL2802734 0.85 CA2 (0.64) ALDH1A1TSHRMAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL3837878 0.83 CA2 (0.61) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL16772307 0.79 ALDH1A1 (0.68) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL3238817 0.79 ALDH1A1 (0.68) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL11585986 0.79 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL22356835 0.78 ALDH1A1 (0.66) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL8339389 0.77 CA2 (0.48) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL11587517 0.77 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1MEN1KMT2A

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-1993024935-A1 TELEPHONE CABLES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-12-09 WO disclosed