SCHEMBL9588604

SCHEMBL9588604

Cc1occc(=O)c1OCC1CO1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
GAA P10253 2/20 0.54
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 5/20 0.45
GLA P06280 1/20 0.45
TP53 P04637 3/20 0.43
TSHR P16473 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
PKM P14618 2/20 0.43
HIF1A Q16665 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
PPARG P37231 1/20 0.43
LDHA P00338 8/20 0.42
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL1129788 0.76 LMNA (0.63) LMNAGAAKMT2AALDH1A1LDHA
SCHEMBL9264609 0.74 LMNA (0.56) LMNAGAAKMT2AALDH1A1LDHA
SCHEMBL92986 0.73 LMNA (0.59) LMNAGAAKMT2AALDH1A1MAPT
SCHEMBL2466435 0.72 LMNA (0.56) LMNAGAAKMT2AALDH1A1MAPT
SCHEMBL31447811 0.71 LMNA (0.60) LMNAGAAKMT2AALDH1A1MAPT
SCHEMBL21261241 0.71 LMNA (0.56) LMNAGAAKMT2AALDH1A1GLA
SCHEMBL3671560 0.71 ALDH1A1 (0.65) LMNAGAAKMT2AALDH1A1GLA
SCHEMBL81547 0.70 LMNA (1.00) LMNAGAAKMT2AALDH1A1MAPT
SCHEMBL19342768 0.69 ALDH1A1 (0.52) LMNAGAAKMT2AALDH1A1GLA
SCHEMBL12130834 0.69 ALDH1A1 (0.53) LMNAGAAKMT2AALDH1A1GLA

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-5254595-A Aryloxypropanolaminotetralins, a process for their preparation and pharmaceutical compositions containing them ELF SANOFI (FR) 1993-10-19 US disclosed