SCHEMBL9099893

SCHEMBL9099893

O=c1ccc[c]n1C1CCCO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
LMNA P02545 3/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ESR1 P03372 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 1/20 0.34
GAA P10253 2/20 0.33
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HSD17B10 Q99714 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL9101434 0.73 ALDH1A1 (0.36) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL15132784 0.70 KMT2A (0.48) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL9098919 0.68 KMT2A (0.43) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL9099532 0.66 KMT2A (0.43) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL9101081 0.66 KMT2A (0.43) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL25405822 0.65 CYP4F2 (0.45) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL27594448 0.64 KMT2A (0.39) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL9838267 0.61 KMT2A (0.49) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL11402153 0.61 ALDH1A1 (0.54) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL11626863 0.61 ALDH1A1 (0.42) ALDH1A1LMNAPOLBKMT2AMEN1

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 10 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
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