SCHEMBL8544441

SCHEMBL8544441

Cc1ccc2c(c1)NC(CCO)CO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MMP12 P39900 1/20 0.41
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
CYP19A1 P11511 1/20 0.33
CA2 P00918 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
PNMT P11086 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 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
SCHEMBL27663070 0.88 GAA (0.45) GAAHSD17B10ALDH1A1MAPTMMP12
SCHEMBL11237252 0.83 GAA (0.46) GAAHSD17B10ALDH1A1MAPTMMP12
SCHEMBL7300283 0.82 CHEK1 (0.38) GAACYP19A1CA2PNMTNR3C1
SCHEMBL7297099 0.82 NR3C2 (0.41) GAACYP19A1CA2PNMTNR3C1
SCHEMBL11564816 0.82 GAA (0.45) GAAHSD17B10ALDH1A1MAPTMMP12
SCHEMBL7297114 0.82 MTNR1A (0.41) MAPTCYP19A1USP2CYP3A4
SCHEMBL8546869 0.80 MMP12 (0.42) GAAHSD17B10ALDH1A1MAPTMMP12
SCHEMBL7297828 0.78 GAA (0.55) GAAHSD17B10ALDH1A1MAPTBRD4
SCHEMBL19942008 0.76 HSD17B10 (0.49) GAAHSD17B10ALDH1A1MAPTMMP12
SCHEMBL19751465 0.76 GAA (0.37) GAAHSD17B10ALDH1A1MAPTMMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0614893-B1 Benzoxazine derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1998-05-27 EP disclosed
US-5447928-A Antiischemic agents and nervous system disorders SYNTHELABO (FR) 1995-09-05 US disclosed
CN-1099032-A Benzoxazine derivatives, their preparation and their use in medicine SYNTHELABO (FR) 1995-02-22 CN disclosed
EP-0614893-A1 Benzoazine derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1994-09-14 EP disclosed