SCHEMBL6937148

SCHEMBL6937148

CCc1cc[c]c(NC(C)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
RAB9A P51151 5/20 0.37
POLB P06746 3/20 0.37
NPC1 O15118 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
PLK1 P53350 1/20 0.37
NR4A1 P22736 1/20 0.37
MAPT P10636 1/20 0.35
HPGD P15428 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
HDAC3 O15379 1/20 0.34

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
SCHEMBL7701540 0.85 IKBKB (0.40) PLK1MAPTHPGDMEN1LMNA
SCHEMBL7841883 0.77 ALDH1A1 (0.47) RAB9APOLBNPC1NR4A1MAPT
SCHEMBL4696811 0.77 HSD17B10 (0.47) MAOARAB9APOLBNPC1MAPT
SCHEMBL11754501 0.77 ALDH1A1 (0.47) RAB9APOLBNPC1MAPTHPGD
SCHEMBL8720569 0.76 ALDH1A1 (0.43) RAB9APOLBNPC1MAPTMEN1
SCHEMBL3407682 0.75 KDM4E (0.40) MAPTHPGDLMNAKMT2AALDH1A1
SCHEMBL4328076 0.75 DYRK1A (0.43) RAB9APOLBMAPTMEN1LMNA
SCHEMBL5782916 0.75 ALDH1A1 (0.42) RAB9APOLBNPC1TDP1MEN1
SCHEMBL5782169 0.75 DYRK1A (0.43) RAB9ANPC1MAPTLMNACYP1A2
SCHEMBL197626 0.75 KDM4E (0.45) RAB9ANPC1MEN1KMT2AALDH1A1

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-6649604-B2 Analgesics; antidiabetic agents; antiinflamamtory agents AMGEN INC. 2003-11-18 US disclosed
US-6420385-B1 INFLAMMATORY, PAIN AND DIABETES DISEASES, AMGEN INC. 2002-07-16 US disclosed