SCHEMBL9099882

SCHEMBL9099882

CCCCOC(=O)c1cccc([C]=O)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
CYP1A2 P05177 3/20 0.56
CYP2C19 P33261 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP2C9 P11712 2/20 0.56
HPGD P15428 2/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
ESR1 P03372 8/20 0.55
LMNA P02545 5/20 0.55
TSHR P16473 3/20 0.55
CYP2D6 P10635 1/20 0.55
MAPK1 P28482 1/20 0.55
NR1H2 P55055 1/20 0.55
RNASEL Q05823 1/20 0.55
TDP1 Q9NUW8 2/20 0.54
CYP3A4 P08684 1/20 0.54
PDE4D Q08499 1/20 0.54

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
SCHEMBL9097534 0.95 LMNA (0.56) L3MBTL1CYP1A2CYP2C19SMN1; SMN2CYP2C9
SCHEMBL9098998 0.94 LMNA (0.58) CYP1A2CYP2C19SMN1; SMN2CYP2C9HPGD
SCHEMBL9097843 0.92 LMNA (0.62) L3MBTL1CYP1A2CYP2C19SMN1; SMN2CYP2C9
SCHEMBL111861 0.89 L3MBTL1 (0.64) L3MBTL1CYP1A2CYP2C19SMN1; SMN2CYP2C9
SCHEMBL97217 0.87 SMN1; SMN2 (0.55) L3MBTL1CYP1A2CYP2C19SMN1; SMN2CYP2C9
Lithium SCHEMBL30876327 0.87 L3MBTL1 (0.62) L3MBTL1CYP1A2CYP2C19SMN1; SMN2CYP2C9
SCHEMBL7189257 0.87 L3MBTL1 (0.62) L3MBTL1CYP1A2CYP2C19SMN1; SMN2CYP2C9
SCHEMBL14919190 0.86 L3MBTL1 (0.55) L3MBTL1CYP1A2CYP2C19SMN1; SMN2CYP2C9
SCHEMBL6057202 0.85 LMNA (0.66) L3MBTL1CYP1A2CYP2C19SMN1; SMN2CYP2C9
SCHEMBL46838 0.84 ESR1 (0.62) L3MBTL1CYP1A2CYP2C19SMN1; SMN2CYP2C9

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-0323441-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
EP-0436902-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1995-06-28 EP disclosed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
EP-0180897-B1 5-FLUOROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-07 EP disclosed
EP-0436902-A1 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-17 EP disclosed
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed