SCHEMBL7737423

SCHEMBL7737423

C[C@]1(C(=O)O)CCCN1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
SIRT6 Q8N6T7 2/20 0.44
AKR1C3 P42330 1/20 0.44
LMNA P02545 3/20 0.43
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.41
ADRB1 P08588 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL15059997 0.82 FFAR1 (0.44) MAPK1ALDH1A1MEN1KMT2A
SCHEMBL2572245 0.81 CNR1 (0.53) AKR1C3LMNAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL2572244 0.81 CNR1 (0.53) AKR1C3LMNAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL31480949 0.79 KMT2A (0.47) MAPTSIRT6LMNAMAPK1ALDH1A1
SCHEMBL15060430 0.77 MEN1 (0.41) LMNAMAPK1ALDH1A1SMN1; SMN2MEN1
SCHEMBL9103501 0.77 CNR1 (0.56) MAPTAKR1C3LMNAALDH1A1SMN1; SMN2
SCHEMBL9103491 0.77 CNR1 (0.56) MAPTAKR1C3LMNAALDH1A1SMN1; SMN2
SCHEMBL14637947 0.75 MAPT (0.55) MAPTSIRT6AKR1C3LMNAMAPK1
Ammonia Solution, Strong SCHEMBL27868466 0.75 MAPT (0.54) MAPTSIRT6AKR1C3LMNAALDH1A1
SCHEMBL6608147 0.72 MAPT (0.63) MAPTSIRT6AKR1C3LMNAMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423772-B1 POLYSILSESQUIOXANES INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES 2002-07-23 US claimed
WO-1999003910-A1 TUBE-LIKE ORGANOSILICON POLYMERIC COMPLEXES AND THE METHOD FOR PRODUCING THE SAME INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 1999-01-28 WO claimed
WO-1999003910-A1 TUBE-LIKE ORGANOSILICON POLYMERIC COMPLEXES AND THE METHOD FOR PRODUCING THE SAME INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 1999-01-28 WO disclosed