SCHEMBL11277077

SCHEMBL11277077

CC(=O)Oc1cc(C(CNC(C)(C)C)CS(=O)(=O)O)ccc1Oc1ccc(C)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 8/20 0.37
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
HIF1A Q16665 1/20 0.34
ADRB2 P07550 1/20 0.33
CCR5 P51681 1/20 0.33
KMT2A Q03164 1/20 0.33
CASP1 P29466 2/20 0.33
PMP22 Q01453 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL11287414 0.96 TBXA2R (0.37) TBXA2RLMNAALDH1A1CYP3A4HIF1A
SCHEMBL11283327 0.92 TBXA2R (0.38) TBXA2RLMNAHIF1AKMT2ACASP1
SCHEMBL11290651 0.89 MAPT (0.38) TBXA2RLMNAALDH1A1ADRB2KMT2A
SCHEMBL11290106 0.86 TBXA2R (0.40) TBXA2RKMT2A
SCHEMBL11277087 0.86 PMP22 (0.45) LMNAALDH1A1CYP3A4HIF1AADRB2
SCHEMBL11282282 0.86 PMP22 (0.39) TBXA2RLMNAHIF1AADRB2KMT2A
SCHEMBL11285937 0.86 PMP22 (0.35) TBXA2RLMNAALDH1A1HIF1AKMT2A
SCHEMBL11279310 0.83 KMT2A (0.44) LMNAALDH1A1CYP3A4CCR5KMT2A
SCHEMBL11286090 0.83 KMT2A (0.44) LMNAALDH1A1CYP3A4CCR5KMT2A
SCHEMBL11277075 0.82 TBXA2R (0.37) TBXA2RLMNAALDH1A1CYP3A4HIF1A

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-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