SCHEMBL9202118

SCHEMBL9202118

CC1(C)COc2ccc(OC(=O)O)cc2OC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.43
KMT2A Q03164 5/20 0.43
TSHR P16473 4/20 0.42
ALOX15 P16050 3/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 1/20 0.42
ACACB O00763 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TRPV1 Q8NER1 1/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
GAPDH P04406 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
SCHEMBL2900297 0.82 LMNA (0.60) LMNATP53POLBALDH1A1GAA
SCHEMBL4340762 0.82 TSHR (0.59) LMNATP53POLBGAAKMT2A
SCHEMBL1855445 0.76 LMNA (0.62) LMNATP53POLBALDH1A1GAA
SCHEMBL9143246 0.76 ALDH1A1 (0.66) ALDH1A1KMT2ATSHRRAB9AHPGD
SCHEMBL3876644 0.75 KMT2A (0.62) LMNATP53POLBALDH1A1GAA
SCHEMBL9142407 0.72 KDM4E (0.63) POLBALDH1A1KMT2ATSHRRAB9A
SCHEMBL7030084 0.72 LMNA (0.42) LMNAPOLBALDH1A1GAAKMT2A
SCHEMBL14240450 0.72 RARB (0.50) LMNAPOLBALDH1A1GAAKMT2A
SCHEMBL5567525 0.72 NPC1 (0.53) POLBRAB9ASMN1; SMN2NPC1
SCHEMBL9200174 0.72 RXRA (0.50) ACACBCA2CA5A

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-0350846-B1 Condensed heterocyclic compounds and their use in therapy HOFFMANN LA ROCHE (CH) 1995-10-11 EP disclosed
EP-0350846-A2 Condensed heterocyclic compounds and their use in therapy F. HOFFMANN-LA ROCHE AG (CH) 1990-01-17 EP disclosed