SCHEMBL11284063

SCHEMBL11284063

Cc1ccc(Oc2ccc(C(CNC(C)C)CS(=O)(=O)O)cc2Oc2ccc(C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.38
ADRB2 P07550 4/20 0.36
ADRB1 P08588 4/20 0.36
ADRB3 P13945 4/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
BLM P54132 2/20 0.35
SLC22A3 O75751 1/20 0.35
GLA P06280 1/20 0.35
APEX1 P27695 1/20 0.34
GRIA4 P48058 1/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34

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
SCHEMBL11278860 0.88 SLC6A4 (0.37) TBXA2RADRB2LMNAMMP2MMP9
SCHEMBL11283327 0.85 TBXA2R (0.38) TBXA2RADRB3LMNAMEN1KMT2A
SCHEMBL11284068 0.84 ADRB3 (0.51) ADRB2ADRB1ADRB3LMNAMEN1
SCHEMBL11287793 0.83 GABBR2 (0.48) TBXA2RMMP2MMP9
SCHEMBL11558981 0.80 SLC6A4 (0.38) TBXA2RADRB2ADRB1ADRB3MEN1
SCHEMBL11526874 0.79 SLC22A3 (0.56) ADRB2ADRB1ADRB3LMNAMEN1
SCHEMBL11284062 0.78 ADRB3 (0.36) TBXA2RADRB2ADRB1ADRB3LMNA
SCHEMBL11287414 0.78 TBXA2R (0.37) TBXA2RADRB2LMNAKMT2A
SCHEMBL11277077 0.78 TBXA2R (0.37) TBXA2RADRB2LMNAKMT2A
SCHEMBL11281123 0.78 TBXA2R (0.38) TBXA2RLMNAKDM4EMMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4336400-A BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS STERLING DRUG INC. (US) 1982-06-22 US claimed
US-4138581-A BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS STERLING DRUGS INC. (US) 1979-02-06 US claimed
US-4336400-A BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS STERLING DRUG INC. (US) 1982-06-22 US disclosed
US-4138581-A BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS STERLING DRUGS INC. (US) 1979-02-06 US disclosed