SCHEMBL30912469

SCHEMBL30912469

CC(C)(C)OC(=O)N1CC(c2ccc([N+](=O)[O-])cc2)CC1O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
SLC18A3 Q16572 1/20 0.40
HTRA1 Q92743 1/20 0.39
PDE5A O76074 1/20 0.39
HSD11B1 P28845 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
MMP2 P08253 1/20 0.36
ANPEP P15144 1/20 0.36
FAAH O00519 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL1546436 0.82 ALDH1A1 (0.61) ALDH1A1LMNAMAPTSLC18A3PDE5A
SCHEMBL19803235 0.82 MEN1 (0.43) ALDH1A1LMNAHTRA1HSD11B1SMN1; SMN2
SCHEMBL29106585 0.79 MAPT (0.49) ALDH1A1LMNAMAPTSLC18A3PDE5A
SCHEMBL27480860 0.79 ALDH1A1 (0.49) ALDH1A1LMNAMAPTSLC18A3PDE5A
SCHEMBL1546476 0.79 ALDH1A1 (0.51) ALDH1A1LMNAMAPTPDE5ASMN1; SMN2
SCHEMBL2433145 0.78 ALDH1A1 (0.43) ALDH1A1LMNAMAPTSMN1; SMN2POLB
SCHEMBL30912538 0.78 KMT2A (0.51) ALDH1A1LMNAMAPTSLC18A3PDE5A
SCHEMBL4736392 0.78 MAPT (0.65) ALDH1A1LMNAMAPTSLC18A3FAAH
SCHEMBL15747865 0.77 ALDH1A1 (0.58) ALDH1A1LMNAMAPTSLC18A3HSD11B1
SCHEMBL25279026 0.77 ALDH1A1 (0.54) ALDH1A1LMNAMAPTSLC18A3PDE5A

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-4619406-A1 TRICYCLIC COMPOUNDS Schrödinger, Inc. (US) 2025-09-24 EP disclosed
WO-2024107393-A1 TRICYCLIC COMPOUNDS SCHRÖDINGER, INC. (US) 2024-05-23 WO disclosed