SCHEMBL7300406

SCHEMBL7300406

[O]CC(C[O])C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
EPHX1 P07099 5/20 0.42
SHBG P04278 1/20 0.42
TP53 P04637 2/20 0.39
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GMNN O75496 1/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2D6 P10635 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
MLNR O43193 1/20 0.32
ABCB11 O95342 1/20 0.32
EGFR P00533 1/20 0.32
FYN P06241 1/20 0.32

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
SCHEMBL7294788 0.91
SCHEMBL6308663 0.85 SHBG (0.52) ALDH1A1EPHX1SHBGTP53LMNA
SCHEMBL9819921 0.72 SHBG (0.44) EPHX1SHBGTP53LMNAKDM4E
SCHEMBL20607649 0.72 TP53 (0.58) ALDH1A1EPHX1SHBGTP53LMNA
SCHEMBL6308449 0.72 SHBG (0.44) EPHX1SHBGTP53LMNAKDM4E
SCHEMBL9213980 0.71 EPHX1 (0.42) ALDH1A1EPHX1SHBGTP53LMNA
SCHEMBL4379254 0.71 EPHX1 (0.62) ALDH1A1EPHX1SHBGTP53LMNA
SCHEMBL5313949 0.71 ALDH1A1 (0.45) ALDH1A1EPHX1SHBGTP53LMNA
SCHEMBL5400953 0.71 SHBG (0.62) ALDH1A1EPHX1SHBGTP53LMNA
SCHEMBL1129491 0.71 ALDH1A1 (0.45) ALDH1A1EPHX1SHBGTP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5508403-A ENHANCES EFFECTS OF ANTITUMOR AGENTS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1996-04-16 US disclosed
EP-0353692-B1 Drug effect-enhancing agent for antitumor drug NISSAN CHEMICAL IND LTD (JP) 1995-10-04 EP disclosed
EP-0655455-A1 Novel phosporus containing pyridine derivatives NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1995-05-31 EP disclosed
US-5304550-A Synergistic NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1994-04-19 US disclosed
US-5130303-A Pyridine derivative administering NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-07-14 US disclosed