SCHEMBL23377484

SCHEMBL23377484

CC1(C)CC(O)CN1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 1/20 0.40
AMPD2 Q01433 1/20 0.39
GAA P10253 1/20 0.39
OPRK1 P41145 1/20 0.39
GBA1 P04062 1/20 0.39
ELANE P08246 1/20 0.39

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
SCHEMBL4507497 0.84 ALDH1A1 (0.45) FUCA1ALDH1A1MEN1KMT2AGBA1
SCHEMBL31171560 0.83 MAPT (0.43) FUCA1ALDH1A1MAPTMEN1KMT2A
SCHEMBL31171590 0.83 MAPT (0.43) FUCA1ALDH1A1MAPTMEN1KMT2A
SCHEMBL31171510 0.83 MAPT (0.43) FUCA1ALDH1A1MAPTMEN1KMT2A
SCHEMBL18930722 0.81 ACHE (0.46) FUCA1MAPTGAAOPRK1ELANE
SCHEMBL17063291 0.81 MEN1 (0.41) FUCA1MAPTMEN1KMT2ATSHR
SCHEMBL15866083 0.80 FUCA1 (0.45) FUCA1ALDH1A1MAPTMEN1KMT2A
SCHEMBL31172293 0.80 FUCA1 (0.45) FUCA1ALDH1A1MAPTMEN1KMT2A
SCHEMBL1189331 0.80 GAA (0.39) FUCA1MAPTMEN1KMT2ATSHR
SCHEMBL30748878 0.80 GAA (0.39) FUCA1MAPTMEN1KMT2ATSHR

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
WO-2021094312-A1 PYRROLIDINE AND BICYCLOHETEROARYL CONTAINING OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-05-20 WO disclosed