SCHEMBL9099722

SCHEMBL9099722

O=c1cc(O)ccn1C1CCCO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 7/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
ESR1 P03372 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
HPGD P15428 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
TP53 P04637 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL4044632 0.95 KMT2A (0.44) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL15132784 0.76 KMT2A (0.48) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL116553 0.74 OPRM1 (0.39) LMNAPOLBMAOAMAOB
SCHEMBL4056563 0.73 POLB (0.43) KMT2AMEN1ALDH1A1POLBESR1
SCHEMBL9838267 0.73 KMT2A (0.49) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL9100183 0.73 KMT2A (0.46) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL9098986 0.73 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL30547691 0.72 KMT2A (0.48) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL6048192 0.72 KMT2A (0.48) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL9099532 0.71 KMT2A (0.43) KMT2AMEN1ALDH1A1LMNAPOLB

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 6 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
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