SCHEMBL6505070

SCHEMBL6505070

COc1ccc(C(CNC(=O)c2nc(-c3ncccc3C)sc2C)C(OC(C)C)C(=O)O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.35
ADORA2A P29274 5/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA1 P30542 4/20 0.34
ADORA3 P0DMS8 3/20 0.34
ADORA2B P29275 2/20 0.34
P2RX7 Q99572 2/20 0.33
EGLN2 Q96KS0 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
KCNA5 P22460 1/20 0.33
PDE2A O00408 1/20 0.33

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
SCHEMBL6503799 0.83 EGLN2 (0.35) ALDH1A1NPC1SMN1; SMN2EGLN2EGLN1
SCHEMBL6502680 0.82 CDC7 (0.41) ADORA2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6504635 0.78 MAPT (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL7676306 0.77 MAPT (0.42) ALDH1A1MEN1KMT2AEGLN1KDM4E
SCHEMBL6505584 0.77 DGAT1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6496508 0.76 FFAR2 (0.35) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6495786 0.75 NPC1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6495572 0.75 EGLN2 (0.34) ALDH1A1NPC1EGLN2EGLN1MAPT
SCHEMBL6496054 0.74 KDM4E (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7684255 0.74 SHMT1 (0.40) ALDH1A1SMN1; SMN2KDM4EMAPT

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-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed