SCHEMBL7708663

SCHEMBL7708663

COC(=O)CC1CN(C(=O)c2ccccc2)c2cc(N)ccc2O1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
CASR P41180 1/20 0.43
SIRT3 Q9NTG7 1/20 0.42
TP53 P04637 5/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
SIRT1 Q96EB6 1/20 0.38

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
SCHEMBL6859136 0.88 POLB (0.50) POLBCASRSIRT3TP53KMT2A
SCHEMBL7713876 0.84 POLB (0.43) POLBCASRTP53KMT2AMAPT
SCHEMBL7711555 0.84 TSHR (0.39) CASRTSHR
SCHEMBL7705262 0.81 TSHR (0.47) TP53KMT2AMAPTMEN1ALDH1A1
SCHEMBL7708679 0.74 CASR (0.47) POLBCASRGAATSHR
SCHEMBL6860561 0.74 CASR (0.47) POLBCASRGAATSHR
SCHEMBL7711490 0.72 SMN1; SMN2 (0.38) POLBTP53KMT2AMAPTMEN1
SCHEMBL6862489 0.71 POLB (0.47) POLBCASRKMT2AMAPTGAA
SCHEMBL30929581 0.69 RORC (0.49) TP53KMT2AMAPTMEN1LMNA
SCHEMBL30929557 0.69 RORC (0.49) TP53KMT2AMAPTMEN1LMNA

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