SCHEMBL7799567

SCHEMBL7799567

CCCCC(C(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.52
AKR1C2 P52895 5/20 0.52
PPARG P37231 2/20 0.51
PPARA Q07869 2/20 0.51
AKR1C1 Q04828 1/20 0.51
PTGS1 P23219 1/20 0.51
UGT2B7 P16662 1/20 0.45
MMP1 P03956 1/20 0.44
MMP7 P09237 1/20 0.44
ACE P12821 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL11321098 0.95 AKR1C3 (0.51) AKR1C3AKR1C2PPARGPPARAAKR1C1
SCHEMBL11316020 0.94 AKR1C3 (0.50) AKR1C3AKR1C2PPARGPPARAAKR1C1
SCHEMBL2545036 0.94 AKR1C3 (0.50) AKR1C3AKR1C2PPARGPPARAAKR1C1
SCHEMBL11319751 0.94 AKR1C3 (0.50) AKR1C3AKR1C2PPARGPPARAAKR1C1
SCHEMBL2536993 0.94 AKR1C3 (0.50) AKR1C3AKR1C2PPARGPPARAAKR1C1
SCHEMBL11701561 0.91 PPARG (0.57) AKR1C3AKR1C2PPARGPPARAAKR1C1
SCHEMBL19612759 0.87 UGT2B7 (0.44) AKR1C3AKR1C2PPARGPPARAAKR1C1
SCHEMBL11692258 0.85 AKR1B1 (0.62) AKR1C3AKR1C2PPARGPPARAAKR1C1
SCHEMBL2318137 0.84 AKR1C3 (0.69) AKR1C3AKR1C2PPARGPPARAAKR1C1
SCHEMBL6898435 0.84 AKR1C3 (0.48) AKR1C3AKR1C2PPARGPPARAAKR1C1

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-6323275-B2 HAVING A LOWERED ADHESION TO THE SKIN TOAGOSEI CO., LTD. (JP) 2001-11-27 US claimed
US-6323275-B2 HAVING A LOWERED ADHESION TO THE SKIN TOAGOSEI CO., LTD. (JP) 2001-11-27 US disclosed
US-20010004655-A1 CYANOACRYLATE ADHESIVE COMPOSITION TOAGOSEI CO., LTD. (JP) 2001-06-21 US disclosed