SCHEMBL11290106

SCHEMBL11290106

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.40
ALOX15 P16050 1/20 0.37
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CA2 P00918 3/20 0.35
TOP2A P11388 2/20 0.35
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 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
SCHEMBL11283807 0.90 ALOX15 (0.45) ALOX15KMT2ANPC1RAB9ACA2
SCHEMBL11288390 0.90 ALOX15 (0.45) ALOX15KMT2ANPC1RAB9ACA2
SCHEMBL11287417 0.90 ALOX15 (0.45) ALOX15KMT2ANPC1RAB9ACA2
SCHEMBL11290111 0.88 TBXA2R (0.41) TBXA2RALOX15KMT2AMEN1
SCHEMBL11277077 0.86 TBXA2R (0.37) TBXA2RKMT2A
SCHEMBL11283327 0.86 TBXA2R (0.38) TBXA2RKMT2AL3MBTL1MEN1
SCHEMBL11290104 0.84 TBXA2R (0.38) TBXA2RALOX15KMT2ANPC1RAB9A
SCHEMBL11290651 0.83 MAPT (0.38) TBXA2RKMT2ANPC1RAB9ATDP1
SCHEMBL11287414 0.83 TBXA2R (0.37) TBXA2RKMT2A
SCHEMBL11282282 0.80 PMP22 (0.39) TBXA2RKMT2AMEN1

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 3 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 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