SCHEMBL11277415

SCHEMBL11277415

Cc1cccc(Oc2ccc(C(CNC(C)(C)C)CS(=O)(=O)O)cc2O)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.39
P2RX4 Q99571 3/20 0.39
CASP1 P29466 2/20 0.38
PMP22 Q01453 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
KDM4E B2RXH2 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL11289623 0.92 TBXA2R (0.41) TBXA2RP2RX4CASP1PMP22ADRB2
SCHEMBL11282282 0.89 PMP22 (0.39) TBXA2RP2RX4CASP1PMP22ADRB2
SCHEMBL11277421 0.86 PMP22 (0.51) CASP1PMP22ADRB2ADRB1ADRB3
SCHEMBL11284492 0.84 TBXA2R (0.37) TBXA2RP2RX4CASP1PMP22ADRB2
SCHEMBL11283327 0.80 TBXA2R (0.38) TBXA2RCASP1PMP22ADRB3KDM4E
SCHEMBL11280914 0.78 HIF1A (0.45) CASP1PMP22ADRB2ADRB1KDM4E
SCHEMBL11283478 0.78 ADRB2 (0.42) CASP1PMP22ADRB2ADRB1ADRB3
SCHEMBL11286260 0.77 PMP22 (0.40) CASP1PMP22ADRB2ADRB1KDM4E
SCHEMBL11289628 0.77 PMP22 (0.47) TBXA2RCASP1PMP22ADRB2ADRB1
SCHEMBL11558981 0.77 SLC6A4 (0.38) TBXA2RPMP22ADRB2ADRB1ADRB3

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 5 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-RE30241-E BRONCHODILATION, ADRENERGIC STIMULANTS STERLING DRUG INC. (US) 1980-03-25 US disclosed
US-4138581-A BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS STERLING DRUGS INC. (US) 1979-02-06 US disclosed