SCHEMBL7319705

SCHEMBL7319705

CC#CCOc1ccc(SCC(=O)Oc2ccccc2OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 11/20 0.48
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MMP13 P45452 4/20 0.41
MMP9 P14780 3/20 0.41
MMP1 P03956 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL6660888 0.79 MAPT (0.47) NPC1RAB9AMAPTCASP3SENP8
SCHEMBL6267555 0.78 ADAM17 (0.48) ADAM17NPC1RAB9AMAPTMMP13
SCHEMBL6661137 0.77 ALDH1A1 (0.58) ADAM17MMP13MMP9MMP1PPARG
SCHEMBL6787275 0.77 ADAM17 (0.62) ADAM17MAPTMMP13MMP9MMP1
SCHEMBL6657126 0.74 ADAM17 (0.74) ADAM17MMP13MMP9MMP1
SCHEMBL6655282 0.71 PTGS2 (0.57) ADAM17
SCHEMBL6787497 0.70 ADAM17 (0.44) ADAM17MAPTMMP13MMP9MMP1
SCHEMBL4555336 0.70 L3MBTL1 (0.57) RAB9ASMN1; SMN2
SCHEMBL6657581 0.68 ADAM17 (0.78) ADAM17MMP13MMP9MMP1PPARG
SCHEMBL6655284 0.68 ADAM17 (0.51) ADAM17MMP13MMP9MMP1SMN1; SMN2

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-6340691-B1 TREATMENT OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN CYANAMID COMPANY 2002-01-22 US disclosed