SCHEMBL11290180

SCHEMBL11290180

Cc1ccc(Oc2ccc(C(=O)CNC(C)(C)C)cc2Oc2ccccc2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.43
EZH2 Q15910 1/20 0.41
LPAR1 Q92633 5/20 0.41
LPAR5 Q9H1C0 5/20 0.41
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
TTR P02766 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
LTA4H P09960 1/20 0.37
TBXA2R P21731 1/20 0.37

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
SCHEMBL11281881 0.91 CTNNB1 (0.45) MAPK14CTNNB1WNT3ATTRMAPK1
Hydrochloric Acid SCHEMBL10896191 0.90 CTNNB1 (0.44) MAPK14CTNNB1WNT3ATTRMAPK1
SCHEMBL11278709 0.88 TBXA2R (0.43) MAPK14EZH2L3MBTL1TDP1ALDH1A1
SCHEMBL11281678 0.86 TBXA2R (0.42) CTNNB1WNT3AMAPK1ALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL11282114 0.86 NOTUM (0.39) MAPK14LPAR1LPAR5L3MBTL1KMT2A
SCHEMBL11420355 0.84 MAPK14 (0.41) MAPK14CTNNB1WNT3ATTRL3MBTL1
Hydrochloric Acid SCHEMBL11289624 0.83 TOP1 (0.43) MAPK14L3MBTL1TDP1ALDH1A1HTT
Hydrochloric Acid SCHEMBL11290079 0.82 RAB9A (0.41) CTNNB1WNT3AMAPK1ALDH1A1LMNA
SCHEMBL11284277 0.82 TTR (0.45) CTNNB1WNT3ATTRMAPK1ALDH1A1
SCHEMBL11284807 0.81 KMT2A (0.40) MAPK14TTRL3MBTL1TDP1ALDH1A1

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