SCHEMBL11425909

SCHEMBL11425909

Cc1cccc(Oc2ccc(C(=O)CNC(C)(C)C)cc2COc2ccccc2C)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
FFAR1 O14842 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CASP1 P29466 1/20 0.37
TBXA2R P21731 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL11284342 0.88 POLB (0.41) L3MBTL1FFAR1ALDH1A1TBXA2RTDP1
SCHEMBL11282380 0.84 ALDH1A1 (0.38) L3MBTL1ALDH1A1TBXA2RTDP1POLB
Hydrochloric Acid SCHEMBL11289061 0.81 CTNNB1 (0.44) L3MBTL1ALDH1A1CASP1TBXA2RTDP1
Hydrochloric Acid SCHEMBL11284136 0.79 TTR (0.44) ALDH1A1CASP1TBXA2RGAAPOLB
SCHEMBL11290037 0.79 ALDH1A1 (0.38) RXRARXRBRXRGALDH1A1TBXA2R
Hydrochloric Acid SCHEMBL11285861 0.78 ALDH1A1 (0.37) RXRARXRBRXRGALDH1A1TBXA2R
SCHEMBL11290180 0.76 MAPK14 (0.43) L3MBTL1ALDH1A1TBXA2RTDP1
Trifluoroacetic Acid SCHEMBL11290815 0.74 ALDH1A1 (0.40) L3MBTL1FFAR1ALDH1A1GAAFFAR4
Hydrochloric Acid SCHEMBL11283481 0.73 ALDH1A1 (0.40) ALDH1A1TBXA2RPOLB
SCHEMBL11278709 0.72 TBXA2R (0.43) RXRARXRBRXRGL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE30241-E BRONCHODILATION, ADRENERGIC STIMULANTS STERLING DRUG INC. (US) 1980-03-25 US disclosed