SCHEMBL7440994

SCHEMBL7440994

COc1cccc(CCc2cc(OC)c(OC)cc2C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 10/20 0.53
HTR1A P08908 2/20 0.53
DRD2 P14416 2/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
POLB P06746 2/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
ALDH1A1 P00352 1/20 0.49
APEX1 P27695 1/20 0.49
RAB9A P51151 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL11688092 0.84 PTGER4 (0.54) ABCB1HTR1ADRD2APEX1RAB9A
SCHEMBL4674534 0.83 ABCB1 (0.59) ABCB1HTR1ADRD2ABCG2APEX1
SCHEMBL7492550 0.83 ABCB1 (0.49) ABCB1HTR1ADRD2POLBABCG2
SCHEMBL19810785 0.83 PTGER4 (0.53) ABCB1HTR1ADRD2APEX1RAB9A
SCHEMBL7448046 0.80 ABCB1 (0.57) ABCB1HTR1ADRD2POLBABCG2
SCHEMBL17978208 0.80 APEX1 (0.56) MEN1KMT2AALDH1A1APEX1RAB9A
SCHEMBL7288018 0.78 SLC2A1 (0.53) ABCB1HTR1ADRD2MEN1KMT2A
SCHEMBL13890953 0.77 TAAR1 (0.53) ALDH1A1APEX1RAB9AMTNR1AMTNR1B
SCHEMBL2313019 0.76 AKR1C3 (0.54) HTR1AMEN1KMT2AAPEX1MTNR1A
SCHEMBL2316255 0.76 KMT2A (0.55) MEN1KMT2APOLBALDH1A1APEX1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292202-B1 2-(3,4-DIHYDROXYPHENYL ETHYL AMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL COMPOUNDS FISONS plc (GB) 1992-09-02 EP disclosed
US-4939147-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC. (GB) 1990-07-03 US disclosed
US-4922022-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC (GB) 1990-05-01 US disclosed
EP-0314725-A1 2-(3,4-DIHYDROXYPHENYL)ETHYLAMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL FISONS plc (GB) 1989-05-10 EP disclosed
WO-1988009326-A1 2-(3,4-DIHYDROXYPHENYL)ETHYLAMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL FISONS PLC (GB) 1988-12-01 WO disclosed
EP-0292202-A1 2-(3,4-Dihydroxyphenyl ethyl amines, their preparation and use as pharmaceutical compounds FISONS plc (GB) 1988-11-23 EP disclosed