SCHEMBL7681247

SCHEMBL7681247

CON(C)C(=O)CC(C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.51
LTB4R2 Q9NPC1 1/20 0.51
HPGD P15428 2/20 0.48
ALDH1A1 P00352 2/20 0.48
FFAR1 O14842 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
AOC3 Q16853 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
TACR1 P25103 1/20 0.43
BCHE P06276 1/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
OPRM1 P35372 2/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL362624 0.86 TDP1 (0.56) HPGDTDP1TACR1POLBSLC6A2
SCHEMBL5230558 0.84 PLA2G1B (0.45) TDP1TACR1GAASLC6A2SLC6A4
SCHEMBL23875683 0.82 LTB4R (0.52) LTB4RLTB4R2HPGDALDH1A1FFAR1
SCHEMBL15427664 0.82 KCNA5 (0.44) LTB4RLTB4R2ALDH1A1
SCHEMBL22025118 0.82 TDP1 (0.43) TDP1TACR1GAASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6161684 0.81 TDP1 (0.42) ALDH1A1TDP1CYP3A4TACR1GAA
SCHEMBL1781861 0.81 GABBR2 (0.51) ALDH1A1TDP1TACR1POLBGAA
SCHEMBL12826999 0.80 AOC3 (0.41) LTB4RLTB4R2HPGDALDH1A1TDP1
SCHEMBL13496165 0.80 HDAC4 (0.40) LTB4RLTB4R2HPGDAOC3BCHE
SCHEMBL6343341 0.80 EPHX1 (0.49) ALDH1A1TDP1TACR1NPSR1GAA

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-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed