SCHEMBL7003583

SCHEMBL7003583

COC(=O)CCCCCCN[C]=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.48
EPHX2 P34913 4/20 0.45
CA12 O43570 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
KMT2A Q03164 1/20 0.41
RECQL P46063 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA1 P00915 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL222756 1.00 TSHR (0.54) TSHRLMNAALDH1A1EPHX2CA12
SCHEMBL6005312 0.98 TSHR (0.56) TSHRLMNAALDH1A1EPHX2CA12
SCHEMBL5649764 0.92 TSHR (0.58) TSHRLMNAALDH1A1EPHX2CA12
SCHEMBL6006466 0.83 CYP1A2 (0.48) TSHRALDH1A1EPHX2KMT2AGAA
SCHEMBL841503 0.83
SCHEMBL9097032 0.82 LMNA (0.58) TSHRLMNAALDH1A1EPHX2GAA
SCHEMBL8176275 0.81 CYP1A2 (0.50) TSHRALDH1A1EPHX2KMT2AGAA
SCHEMBL9099953 0.80 DGKA (0.55) TSHRLMNAALDH1A1EPHX2MAPT
SCHEMBL3503548 0.80 TSHR (0.82) TSHRLMNAALDH1A1EPHX2CA12
SCHEMBL3502791 0.80 TSHR (0.82) TSHRLMNAALDH1A1EPHX2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1081149-B1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2003-04-02 EP disclosed
US-6372749-B1 PHARMACOLOGICAL EFFECTS SUCH AS ANALGESIC ACTION, INHIBITORY EFFECT ON NITROGEN MONOXIDE SYNTHETASE AND THE LIKE AND ARE USEFUL AS ANALGESICS. OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2002-04-16 US disclosed
EP-1081149-A1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-03-07 EP disclosed
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
EP-0247381-B1 5-FLUROROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-04 EP disclosed
US-5047521-A Anticarcinogenic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US 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-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed