SCHEMBL7630944

SCHEMBL7630944

O=C(O)CCc1ccc(-c2ccccc2)cc1.[NaH].[NaH]

nearest known ligand 0.96

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.96
KEAP1 Q14145 1/20 0.72
MMP12 P39900 3/20 0.70
FFAR4 Q5NUL3 4/20 0.70
ABCC4 O15439 1/20 0.61
LMNA P02545 1/20 0.61
GAA P10253 1/20 0.61
TSHR P16473 1/20 0.61
PTGS1 P23219 1/20 0.61
HTT P42858 1/20 0.61
AKR1B1 P15121 1/20 0.58
MMP13 P45452 2/20 0.58
NAAA Q02083 1/20 0.57
RXRA P19793 1/20 0.57
RXRB P28702 1/20 0.57
RXRG P48443 1/20 0.57
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP14 P50281 1/20 0.56

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
SCHEMBL1211561 0.98 FFAR1 (1.00) FFAR1KEAP1MMP12FFAR4ABCC4
SCHEMBL8618654 0.98 FFAR1 (1.00) FFAR1KEAP1MMP12FFAR4ABCC4
Hydrochloric Acid SCHEMBL5753893 0.96 FFAR1 (0.96) FFAR1KEAP1MMP12FFAR4ABCC4
Biphenyl SCHEMBL31099230 0.91 FFAR1 (0.88) FFAR1KEAP1MMP12FFAR4AKR1B1
SCHEMBL14066660 0.91 FFAR1 (0.87) FFAR1KEAP1MMP12FFAR4LMNA
SCHEMBL3533619 0.91 FFAR1 (0.87) FFAR1KEAP1MMP12FFAR4LMNA
Biphenyl SCHEMBL31099239 0.89 FFAR1 (0.84) FFAR1KEAP1MMP12FFAR4AKR1B1
Biphenyl SCHEMBL27323905 0.89 FFAR1 (0.84) FFAR1KEAP1MMP12FFAR4AKR1B1
SCHEMBL12646566 0.88 FFAR1 (0.81) FFAR1KEAP1MMP12FFAR4
SCHEMBL279537 0.87 FFAR1 (0.79) FFAR1KEAP1MMP12FFAR4ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1231939-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2002-08-21 EP claimed
EP-1231938-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2002-08-21 EP claimed
WO-2001034198-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO claimed
WO-2001034197-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO claimed
WO-2001034135-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO claimed
WO-2001034137-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO claimed
EP-1231939-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2002-08-21 EP disclosed
EP-1231938-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2002-08-21 EP disclosed
WO-2001034197-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO disclosed
WO-2001034198-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO disclosed
WO-2001034137-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO disclosed
WO-2001034135-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO disclosed