SCHEMBL9815280

SCHEMBL9815280

Cc1cc(C)c(-c2c(C)cc(C)c(C(=O)O)c2C)c(C)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.48
ACHE P22303 1/20 0.48
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LDHA P00338 3/20 0.44
LDHB P07195 3/20 0.44
MAPT P10636 3/20 0.41
NOTUM Q6P988 1/20 0.40
ALB P02768 1/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
HPGD P15428 3/20 0.38
POLB P06746 2/20 0.38
GFER P55789 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 2/20 0.37

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
SCHEMBL8106142 0.87 CYP3A4 (0.54) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL18493974 0.87 CYP3A4 (0.42) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL5042476 0.85 CYP3A4 (0.52) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL5037307 0.85 CYP3A4 (0.52) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL6026916 0.84 FABP4 (0.43) CYP3A4ACHEALDH1A1SMN1; SMN2LDHA
SCHEMBL28660408 0.84 TTR (0.46) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL1257863 0.83 CYP3A4 (0.50) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL18493977 0.81 HPGD (0.39) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL29903221 0.81 RXRB (0.38) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL28664621 0.80 LDHA (0.41) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0172332-B1 FIBER FOR REINFORCING PLASTIC COMPOSITES AND REINFORCED PLASTIC COMPOSITES THEREFROM AlliedSignal Inc. (US) 1991-08-21 EP claimed
US-4880871-A GLASS FIBERS, POLYESTERS, ALKYD RESINS ALLIED-SIGNAL INC. (US) 1989-11-14 US claimed
US-4880704-A POLYESTER, POLYAMIDE REINFORCEMENT; PARTITIONS ALLIED-SIGNAL INC. (US) 1989-11-14 US claimed
US-4879179-A POLYESTER ALLIED-SIGNAL INC. (US) 1989-11-07 US claimed
US-4873144-A Fiber for composite reinforcement with anti-blocking finish ALLIED-SIGNAL INC. (US) 1989-10-10 US claimed
US-4857405-A HIGH TENACITY ALLIED-SIGNAL INC. (US) 1989-08-15 US claimed
EP-0172332-A2 Fiber for reinforcing plastic composites and reinforced plastic composites therefrom AlliedSignal Inc. (US) 1986-02-26 EP claimed
US-3992435-A USED FOR THE FORMATION OF POLYESTERS STANDARD OIL COMPANY (INDIANA) (US) 1976-11-16 US claimed
EP-0172332-B1 FIBER FOR REINFORCING PLASTIC COMPOSITES AND REINFORCED PLASTIC COMPOSITES THEREFROM AlliedSignal Inc. (US) 1991-08-21 EP disclosed
US-4880871-A GLASS FIBERS, POLYESTERS, ALKYD RESINS ALLIED-SIGNAL INC. (US) 1989-11-14 US disclosed
US-4880704-A POLYESTER, POLYAMIDE REINFORCEMENT; PARTITIONS ALLIED-SIGNAL INC. (US) 1989-11-14 US disclosed
US-4873144-A Fiber for composite reinforcement with anti-blocking finish ALLIED-SIGNAL INC. (US) 1989-10-10 US disclosed
US-4857405-A HIGH TENACITY ALLIED-SIGNAL INC. (US) 1989-08-15 US disclosed
EP-0172332-A2 Fiber for reinforcing plastic composites and reinforced plastic composites therefrom AlliedSignal Inc. (US) 1986-02-26 EP disclosed
US-3992435-A USED FOR THE FORMATION OF POLYESTERS STANDARD OIL COMPANY (INDIANA) (US) 1976-11-16 US disclosed