SCHEMBL11142016

SCHEMBL11142016

O=C(O)CCCC#CCc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
CYP1A2 P05177 2/20 0.47
FFAR1 O14842 1/20 0.45
AKR1B1 P15121 1/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
CMA1 P23946 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CTNNB1 P35222 1/20 0.42
MC4R P32245 1/20 0.41
MC5R P33032 1/20 0.41
MC3R P41968 1/20 0.41
MC1R Q01726 1/20 0.41
ACP3 P15309 1/20 0.41
MAPT P10636 1/20 0.40
CNR2 P34972 1/20 0.40
FOLH1 Q04609 1/20 0.40
PPARG P37231 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL9749675 0.85 CYP1A2 (0.48) CYP1A2CYP2D6CYP2C19KMT2AMEN1
SCHEMBL11135656 0.83 CYP1A2 (0.48) TDP1CYP1A2CYP2C19MAPTCNR2
SCHEMBL2314388 0.78 MEN1 (0.66) TDP1CYP1A2FFAR1AKR1B1CYP2D6
SCHEMBL10916971 0.78 CYP1A2 (0.44) TDP1CYP1A2FFAR1AKR1B1CYP2D6
SCHEMBL22129565 0.76 TDP1 (0.61) TDP1CYP1A2FFAR1AKR1B1CYP2D6
SCHEMBL30900805 0.76 TDP1 (0.61) TDP1CYP1A2FFAR1AKR1B1CYP2D6
SCHEMBL11135874 0.76 SMN1; SMN2 (0.55) TDP1FFAR1KMT2AMEN1MAPT
SCHEMBL1616841 0.75 TDP1 (0.59) TDP1CYP1A2FFAR1AKR1B1CYP2D6
SCHEMBL6842066 0.75 TDP1 (0.59) TDP1CYP1A2FFAR1AKR1B1CYP2D6
SCHEMBL3732554 0.75 TDP1 (0.59) TDP1CYP1A2FFAR1AKR1B1CYP2D6

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-4405810-A ANTIALLERGENS, BRONCHODILATORS SCHERING CORPORATION (US) 1983-09-20 US disclosed