SCHEMBL5537780

SCHEMBL5537780

C=C(CCCCC)C(=O)O.CC(=CN)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
THRB P10828 1/20 0.44
PGGT1B P53609 1/20 0.44
AKR1B1 P15121 1/20 0.41
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 7/20 0.39
PPARD Q03181 7/20 0.39
PPARA Q07869 7/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
PTPN1 P18031 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 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
SCHEMBL7918445 0.84 FNTA (0.50) FNTAFNTBTHRBPGGT1BAKR1B1
SCHEMBL7918438 0.84 FNTA (0.50) FNTAFNTBTHRBPGGT1BAKR1B1
SCHEMBL22545 0.83 AKR1B1 (0.56) FNTAFNTBTHRBPGGT1BAKR1B1
SCHEMBL6910249 0.83 AKR1B1 (0.56) FNTAFNTBTHRBPGGT1BAKR1B1
Methacrylic Acid SCHEMBL10812185 0.83 FNTA (0.44) FNTAFNTBTHRBPGGT1BAKR1B1
Methacrylic Acid SCHEMBL4558399 0.81 FNTA (0.53) FNTAFNTBTHRBPGGT1BAKR1B1
SCHEMBL147810 0.81 GPR84 (0.58) FNTAFNTBTHRBPGGT1BAKR1B1
SCHEMBL3947983 0.81 GPR84 (0.58) FNTAFNTBTHRBPGGT1BAKR1B1
SCHEMBL1119569 0.81 GPR84 (0.58) FNTAFNTBTHRBPGGT1BAKR1B1
SCHEMBL10794679 0.81 GPR84 (0.58) FNTAFNTBTHRBPGGT1BAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1789025-A2 DEVICE FOR TRANSDERMAL DELIVERY OF ACTIVE PRINCIPLES LABORATORIO ITALIANO BIOCHIMICO FARMACEUTICO LISAPHARMA S.P.A. (IT) 2007-05-30 EP claimed
WO-2006008320-A2 DEVICE FOR TRANSDERMAL DELIVERY OF ACTIVE PRINCIPLES LABORATORIO ITALIANO BIOCHIMICO FARMACEUTICO LISAPHARMA S.P.A. (IT) 2006-01-26 WO claimed