SCHEMBL7439149

SCHEMBL7439149

COc1ccc(C(=O)O)c(CCc2cccc(NS(C)(=O)=O)c2)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.47
POLB P06746 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
SLC16A3 O15427 1/20 0.41
ADRB3 P13945 1/20 0.41
ROCK2 O75116 1/20 0.41

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
SCHEMBL7441805 0.84 FABP4 (0.45) FABP4POLBTUBB4ATUBBTUBA3C
SCHEMBL7287001 0.81 MAPT (0.47) MAPTTDP1APEX1ALDH1A1NPC1
SCHEMBL7288018 0.81 SLC2A1 (0.53) POLBMAPTTDP1APEX1ALDH1A1
SCHEMBL7272682 0.80 MAPT (0.54) POLBMAPTTDP1NPC1RAB9A
Hydrochloric Acid SCHEMBL7447305 0.80 SLC2A1 (0.47) FABP4PTK2MAPTKDM4ESMN1; SMN2
SCHEMBL7284175 0.80 APEX1 (0.53) POLBADRB3MAPTTDP1APEX1
SCHEMBL7438274 0.79 SLC2A1 (0.42) FABP4POLBTUBB4ATUBBTUBA3C
SCHEMBL7443571 0.78 LMNA (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9640614 0.76 HDAC3 (0.49) POLBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7445189 0.76 HDAC3 (0.49) POLBTUBB4ATUBBTUBA3CTUBA1B

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