SCHEMBL11402001

SCHEMBL11402001

COc1cccc(OC(C(=O)O)c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
MTNR1A P48039 5/20 0.52
MTNR1B P49286 5/20 0.52
PPARA Q07869 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
PPARG P37231 3/20 0.49
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTGS1 P23219 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL8017865 0.87 KDM4E (0.54) MEN1KMT2AMTNR1AMTNR1BKDM4E
SCHEMBL21881560 0.86 MEN1 (0.58) MEN1KMT2APPARAKDM4EALDH1A1
SCHEMBL5944601 0.86 MEN1 (0.58) MEN1KMT2APPARAKDM4EALDH1A1
SCHEMBL14303460 0.85 PPARG (0.54) MEN1KMT2APPARAKDM4EALDH1A1
SCHEMBL8114221 0.84 MEN1 (0.45) MEN1KMT2AMTNR1AMTNR1BLMNA
SCHEMBL4529400 0.84 TSHR (0.50) MEN1KMT2AMTNR1AMTNR1BLMNA
SCHEMBL21881586 0.84 KDM4E (0.55) MEN1KMT2APPARAKDM4EALDH1A1
SCHEMBL660871 0.84 KDM4E (0.55) MEN1KMT2APPARAKDM4EALDH1A1
SCHEMBL13324879 0.84 KDM4E (0.55) MEN1KMT2APPARAKDM4EALDH1A1
SCHEMBL10514685 0.83 PGR (0.51) KMT2AMTNR1AMTNR1BKDM4EALDH1A1

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
US-4271160-A Substituted morpholine derivatives and pharmaceutical compositions FARMITALIA CARLO ERBA S.P.A. (IT) 1981-06-02 US disclosed
US-4229449-A ANTIDEPRESSANTS FARMITALIA CARLO ERBA, S.P.A. (IT) 1980-10-21 US disclosed