SCHEMBL11090604

SCHEMBL11090604

CCOC(=O)c1c(C)c(C(=O)c2ccc(SC)n2C)n(C)c1C(CC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
KMT2A Q03164 4/20 0.38
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 2/20 0.33
TSHR P16473 4/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPK1 P28482 1/20 0.32
THRB P10828 1/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 3/20 0.31
HPGD P15428 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL11087575 0.81 USP2 (0.41) USP2KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL10965792 0.78 KMT2A (0.44) USP2KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL11090601 0.78 KMT2A (0.40) USP2KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL11090520 0.75 TSHR (0.47) USP2KMT2AMAPTSMN1; SMN2GAA
SCHEMBL11268066 0.71 USP2 (0.44) USP2KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL10881348 0.69 ABCB11 (0.41) USP2KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL11085390 0.67 THRB (0.39) USP2KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL8608578 0.66 ABCB11 (0.44) KMT2AMAPTSMN1; SMN2TSHRMEN1
SCHEMBL11063059 0.62 ALOX5 (0.44) KMT2AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL11028468 0.61 ALDH1A1 (0.35) KMT2AMAPTSMN1; SMN2TSHRMEN1

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-4434175-A 5-AROYL-PYRROLE ALKANOIC ACIDS MERCK & CO., INC. (US) 1984-02-28 US disclosed
EP-0072013-A1 Pyrrole compounds as anti-inflammatory and analgesic agents MERCK & CO. INC. (US) 1983-02-16 EP disclosed