SCHEMBL3662482

SCHEMBL3662482

CCCOC(=O)C1=CC=CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
LMNA P02545 2/20 0.42
TSHR P16473 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
ESR1 P03372 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 1/20 0.41
KDR P35968 1/20 0.41
KDM4E B2RXH2 3/20 0.38
MAOB P27338 2/20 0.38
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL277725 0.91 TSHR (0.34) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL1982818 0.91 ALDH1A1 (0.37) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL9823512 0.90 TSHR (0.49) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL5690811 0.90 TSHR (0.46) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL11206256 0.90 TDP1 (0.39) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL453283 0.89 ALDH1A1 (0.50) ALDH1A1LMNATSHRESR1KDM4E
Formaldehyde SCHEMBL9062631 0.86 ALDH1A1 (0.48) ALDH1A1LMNATSHRESR1KDM4E
SCHEMBL5153493 0.86 TSHR (0.40) ALDH1A1LMNATSHRESR1KDM4E
SCHEMBL6536699 0.80 TSHR (0.31) LMNATSHR
SCHEMBL819220 0.79 ALDH1A1 (0.42) ALDH1A1LMNATSHRTDP1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240214-A2 ANALGESIC APATITIC CALCIUM-PHOSPHATE CEMENT Graftys (FR) 2010-10-20 EP disclosed
WO-2009087148-A2 ANALGESIC APATITIC CALCIUM-PHOSPHATE CEMENT GRAFTYS (FR) 2009-07-16 WO disclosed
EP-0197718-B2 New medicaments for topical use FIDIA SPA (IT) 2001-07-25 EP disclosed
EP-0984782-A2 USE OF ANTI-INFLAMMATORY STEROIDS FOR THE TREATMENT OF CHRONIC INFLAMMATORY INTESTINAL DISEASES Akzo Nobel N.V. (NL) 2000-03-15 EP disclosed
WO-1998055126-A2 USE OF ANTI-INFLAMMATORY STEROIDS FOR THE TREATMENT OF CHRONIC INFLAMMATORY INTESTINAL DISEASES AKZO NOBEL N.V. (NL) 1998-12-10 WO disclosed
US-5631241-A WOUND HEALING AGENTS OF HIGH MOLECULAR WEIGHT FOR EYES AS ANTIINFLAMMATORY AGENTS FIDIA S.P.A. (IT) 1997-05-20 US disclosed
EP-0197718-B1 New medicaments for topical use FIDIA SPA (IT) 1993-12-15 EP disclosed
EP-0555898-A2 Medicaments for non-topical use FIDIA S.p.A. (IT) 1993-08-18 EP disclosed
US-5166331-A Antibiotics, viricides, antiinflammatory agents, wound healing agents, cytostatics, anesthetics, cholinergics or adrenergics FIDIA, S.P.A. (IT) 1992-11-24 US disclosed
US-4736024-A Process for preparing salt of hyaluronic acid with a pharmaceutically active substance FIDIA, S.P.A. (IT) 1988-04-05 US disclosed
EP-0197718-A2 New medicaments for topical use FIDIA S.p.A. (IT) 1986-10-15 EP disclosed