SCHEMBL25870778

SCHEMBL25870778

CCC(C)(C)c1ccc(C(C)(CC)c2ccc(I)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 1/20 0.44
APP P05067 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CNR2 P34972 2/20 0.37
HRH3 Q9Y5N1 12/20 0.36
MAOB P27338 8/20 0.36
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL13016 0.91 NPC1 (0.50) NPC1RAB9AMAPTAPPLMNA
Iodide SCHEMBL5175074 0.89 NPC1 (0.48) NPC1RAB9AMAPTAPPLMNA
SCHEMBL20674280 0.83 TAAR1 (0.50) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL24555477 0.81 NPC1 (0.43) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL779443 0.81 NPC1 (0.58) NPC1RAB9AMAPTLMNAMAPK1
Sulfuric Acid SCHEMBL2773087 0.79 NPC1 (0.43) NPC1RAB9AMAPTAPPLMNA
Sulfuric Acid SCHEMBL2773086 0.79 NPC1 (0.43) NPC1RAB9AMAPTAPPLMNA
SCHEMBL24555478 0.76 NPC1 (0.40) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL12967599 0.75 NPC1 (0.48) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL26844942 0.75 ESR1 (0.45) NPC1RAB9AMAPTAPPLMNA

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-20230235177-A1 Deep Ultraviolet-Excitable Water-Solvated Polymeric Dyes BECTON, DICKINSON AND COMPANY 2023-07-27 US disclosed