SCHEMBL7713876

SCHEMBL7713876

COC(=O)CC1CN(C(=O)c2ccccc2)c2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
F2 P00734 1/20 0.42
PLAU P00749 1/20 0.42
KLKB1 P03952 1/20 0.42
ELANE P08246 1/20 0.42
CTRB1 P17538 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CASR P41180 1/20 0.41
LMNA P02545 6/20 0.40
HTT P42858 5/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
WDR5 P61964 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 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
SCHEMBL6862489 0.89 POLB (0.47) POLBTDP1CASRLMNAHTT
SCHEMBL7708641 0.84 ALDH1A1 (0.43) POLBLMNAHTTALDH1A1MAPT
SCHEMBL7708663 0.84 POLB (0.46) POLBCASRLMNAALDH1A1MAPT
SCHEMBL7711823 0.82 SIRT1 (0.52) POLBTDP1LMNAALDH1A1MAPT
SCHEMBL7711231 0.72 USP2 (0.41) POLBHTTALDH1A1MAPTGAA
SCHEMBL16823624 0.72 USP2 (0.41) POLBHTTALDH1A1MAPTGAA
SCHEMBL6860836 0.72 FFAR4 (0.42) POLBTDP1LMNAHTTALDH1A1
SCHEMBL6859136 0.71 POLB (0.50) POLBCASRLMNAALDH1A1MAPT
SCHEMBL12862879 0.71 HTT (0.45) POLBHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL28609909 0.71 AKR1B1 (0.36) ALDH1A1MAPTSMN1; SMN2GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed