SCHEMBL27427979

SCHEMBL27427979

COC(=O)C(Cc1ccccc1)Nc1ccco1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.57
ALDH1A1 P00352 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
THRB P10828 1/20 0.56
HSD17B10 Q99714 1/20 0.56
POLB P06746 2/20 0.54
LMNA P02545 1/20 0.52
GLA P06280 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 2/20 0.50
RAB9A P51151 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
GFER P55789 1/20 0.49
CA12 O43570 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49

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
SCHEMBL27427977 1.00 ATM (0.57) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL9954097 0.85 MME (0.49) ALDH1A1L3MBTL1
SCHEMBL9954098 0.85 MME (0.49) ALDH1A1L3MBTL1
SCHEMBL28604595 0.84 CTSL (0.65) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL27880853 0.80 ATM (0.60) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL3929193 0.79 ADORA3 (0.51) L3MBTL1
SCHEMBL3929190 0.79 ADORA3 (0.51) L3MBTL1
SCHEMBL1879654 0.77 ATM (0.68) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL6295802 0.77 ATM (0.68) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL1884230 0.77 ATM (0.68) ATMALDH1A1CYP2C9CYP2C19THRB

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
CN-1127513-C Phosphonic acid derivatives with metallopeptidase inhibitory activity ZAMBON SPA (IT) 2003-11-12 CN disclosed
CN-1202901-A Phosphonic acid derivatives with metallopeptidase inhibitory activity ZAMBON SPA (IT) 1998-12-23 CN disclosed