SCHEMBL8880228

SCHEMBL8880228

CC(C)(C)[C@H](N)c1nccn1C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.39
HTR2C P28335 1/20 0.38
SLC15A1 P46059 1/20 0.38
P2RX4 Q99571 2/20 0.38
JMJD6 Q6NYC1 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
GRIN2B Q13224 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
P2RX1 P51575 1/20 0.37
P2RX3 P56373 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL9880596 0.84 ALDH1A1 (0.44) OPRD1OPRK1MAPTALDH1A1HTR2C
SCHEMBL9880597 0.78 ALDH1A1 (0.49) OPRD1OPRK1ALDH1A1HTR2CP2RX4
SCHEMBL9880601 0.76 ALDH1A1 (0.46) OPRD1OPRK1ALDH1A1HTR2CP2RX4
SCHEMBL697760 0.75 L3MBTL1 (0.38) OPRD1OPRK1MAPTALDH1A1HTR2C
SCHEMBL7514677 0.75 JMJD6 (0.43) OPRD1OPRK1ALDH1A1HTR2CJMJD6
SCHEMBL5648210 0.75 SMN1; SMN2 (0.45) OPRD1OPRK1MAPTALDH1A1P2RX4
SCHEMBL9880598 0.74 ALDH1A1 (0.44) OPRD1OPRK1ALDH1A1HTR2CP2RX4
SCHEMBL9880605 0.73 P2RX4 (0.44) MAPTALDH1A1P2RX4CYP2C19SMN1; SMN2
SCHEMBL9880609 0.73 ESR1 (0.47) OPRD1OPRK1ALDH1A1HTR2CP2RX4
SCHEMBL8905073 0.71 AAK1 (0.53) MAPTALDH1A1MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5665753-A TREATMENT OF MATRIX-DEGRADING METALLOPROTEINASE RELATED DISEASE STATES, I.E. ARTHRITIS SMITHKLINE BEECHAM CORPORATION (US) 1997-09-09 US disclosed