SCHEMBL9079647

SCHEMBL9079647

CCc1c(Cc2[nH]c(C(=O)O)c(C)c2C(O)CC)[nH]c(Cc2[nH]c(C(=O)O)c(C)c2C(O)CC)c1CC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
PRNP P04156 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
PPARG P37231 1/20 0.30
HIF1A Q16665 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
NR2E3 Q9Y5X4 1/20 0.30
NCOR2 Q9Y618 1/20 0.30
PTK2 Q05397 1/20 0.30

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
SCHEMBL5772424 0.82 LMNA (0.49) LMNANPSR1MEN1GAATSHR
SCHEMBL13228906 0.75 NPSR1 (0.44) LMNANPSR1MEN1GAATSHR
SCHEMBL7668283 0.74 NPSR1 (0.43) LMNANPSR1MEN1GAATSHR
SCHEMBL9423133 0.72 TSHR (0.47) LMNANPSR1MEN1GAATSHR
SCHEMBL8632437 0.72 LMNA (0.44) LMNANPSR1MEN1GAATSHR
SCHEMBL7698795 0.69 NPSR1 (0.44) LMNANPSR1MEN1GAATSHR
SCHEMBL10232133 0.67 LMNA (0.43) LMNANPSR1MEN1GAATSHR
SCHEMBL18210830 0.67 HSD17B10 (0.58) LMNANPSR1MEN1GAATSHR
SCHEMBL8632439 0.66 NPSR1 (0.65) LMNANPSR1MEN1GAATSHR
SCHEMBL8686610 0.65 NPSR1 (0.38) LMNANPSR1MEN1GAATSHR

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
US-5543514-A Water-soluble sapphyrins BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1996-08-06 US disclosed