SCHEMBL5972001

SCHEMBL5972001

Cc1cc(NCC(C)(C)CO)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
RAB9A P51151 8/20 0.48
MAPT P10636 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
TSHR P16473 1/20 0.44
NPC1 O15118 7/20 0.43
GAA P10253 2/20 0.42
LMNA P02545 4/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPK1 P28482 2/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL4615136 0.93 ALDH1A1 (0.51) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL14338942 0.82 ALDH1A1 (0.50) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL5130515 0.81 ALDH1A1 (0.52) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL14266750 0.81 ALDH1A1 (0.55) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL14594524 0.81 ALDH1A1 (0.38) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL2769356 0.80 AR (0.55) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL5972286 0.79 ALDH1A1 (0.50) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL6358511 0.79 MAPT (0.56) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL14003620 0.78 ALDH1A1 (0.56) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL28114517 0.78 ALDH1A1 (0.62) ALDH1A1RAB9AMAPTMEN1KMT2A

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
EP-1685090-A1 ANDROGEN RECEPTOR MODULATORS KARO BIO AB (SE) 2006-08-02 EP disclosed
WO-2005042464-A1 ANDROGEN RECEPTOR MODULATORS KARO BIO AB (SE) 2005-05-12 WO disclosed