SCHEMBL9101479

SCHEMBL9101479

O=Cc1ccc(O)cc1CCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.48
GPR84 Q9NQS5 4/20 0.47
ALOX5 P09917 3/20 0.46
EGFR P00533 1/20 0.42
LCK P06239 1/20 0.42
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
OPRK1 P41145 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4002939 0.86 ALOX5 (0.58) HSD17B3ALOX5GAAPKMTSHR
SCHEMBL20064113 0.80 HTR2A (0.46) GPR84KDM4E
SCHEMBL537992 0.78 MEN1 (0.48) TSHR
SCHEMBL3429791 0.77 HSD17B3 (0.44) HSD17B3GPR84ALOX5TSHR
SCHEMBL1426624 0.77 EGFR (0.60) HSD17B3ALOX5EGFRLCK
Methyl Alcohol SCHEMBL27892221 0.76 HSD17B3 (0.43) HSD17B3GPR84ALOX5TSHR
SCHEMBL1130037 0.75 EGFR (0.58) HSD17B3ALOX5EGFRLCKTSHR
SCHEMBL8406799 0.75 ERN1 (0.48) ALOX5KDM4E
SCHEMBL3431324 0.75 TYR (0.56) GPR84ALOX5EGFRLCKGAA
SCHEMBL1838722 0.74 TYR (0.44) HSD17B3

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