SCHEMBL18878455

SCHEMBL18878455

COc1ccc(C(C)CC(C)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
KMT2A Q03164 5/20 0.54
APP P05067 1/20 0.53
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 4/20 0.50
KCNJ1 P48048 1/20 0.50
KCNH2 Q12809 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX12 P18054 1/20 0.50
ATM Q13315 1/20 0.50
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
PTGS1 P23219 1/20 0.45

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
SCHEMBL492221 0.82 APP (0.70) KMT2AAPPLMNAALDH1A1POLB
SCHEMBL20328415 0.82 APP (0.70) KMT2AAPPLMNAALDH1A1POLB
SCHEMBL20328414 0.82 APP (0.70) KMT2AAPPLMNAALDH1A1POLB
SCHEMBL4454111 0.82 CA1 (0.52) GAAALDH1A1CYP1A2MAPT
SCHEMBL22291711 0.82 CA1 (0.52) GAAALDH1A1CYP1A2MAPT
SCHEMBL31096483 0.80 APP (0.68) KMT2AAPPLMNAALDH1A1POLB
SCHEMBL28853641 0.80 APP (0.68) KMT2AAPPLMNAALDH1A1POLB
Hydrochloric Acid SCHEMBL15269629 0.80 APP (0.68) KMT2AAPPLMNAALDH1A1POLB
Ethane SCHEMBL10589507 0.80 APP (0.68) KMT2AAPPLMNAALDH1A1POLB
SCHEMBL27548370 0.80 APP (0.68) KMT2AAPPLMNAALDH1A1POLB

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-9657030-B2 Transition metal-catalyzed processes for the preparation of N-allyl compounds and use thereof RHODES TECHNOLOGIES (US) 2017-05-23 US disclosed