SCHEMBL6804632

SCHEMBL6804632

Cc1ccc2ccccc2c1COc1ccc(C[C]=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
ADAM17 P78536 1/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 2/20 0.40
FFAR1 O14842 1/20 0.39
AKR1B1 P15121 1/20 0.39
NPBWR1 P48145 1/20 0.36
MEN1 O00255 2/20 0.36
PARP10 Q53GL7 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
LMNA P02545 1/20 0.35
ALOX5 P09917 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6805550 0.82 SLC22A12 (0.43) FFAR1
SCHEMBL6802634 0.80 RAB9A (0.48) RAB9AKMT2AFFAR1AKR1B1MEN1
SCHEMBL7247418 0.76 KMT2A (0.43) ADAM17KMT2ATSHRNPBWR1MEN1
SCHEMBL6806069 0.73 ADAM17 (0.39) RAB9AADAM17FFAR1PARP10NPC1
SCHEMBL3970211 0.72 ADAM17 (0.57) ADAM17
SCHEMBL6805048 0.72 LMNA (0.58) RAB9AFFAR1PARP10CYP1A2LMNA
SCHEMBL6799652 0.70 APP (0.58) RAB9AKMT2AFFAR1MEN1CYP1A2
SCHEMBL6804822 0.70 SMN1; SMN2 (0.54) RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL6809153 0.70 ADAMTS4 (0.42) RAB9AFFAR1PARP10NPC1MAPT
SCHEMBL6803571 0.69 RAB9A (0.40) RAB9AKMT2AMEN1PARP10LMNA

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-6770647-B2 Bicyclic hydroxamates as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-03 US disclosed
WO-2003016248-A2 BICYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$G(A) CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY PATENT DEPARTMENT (US) 2003-02-27 WO disclosed