SCHEMBL1751887

SCHEMBL1751887

CCc1ccccc1OC/C=C/c1ccccc1O[C@H]1CCCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 4/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
SSTR1 P30872 1/20 0.38
SSTR4 P31391 1/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 4/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
LMNA P02545 3/20 0.36
GMNN O75496 1/20 0.36
PMP22 Q01453 1/20 0.36
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 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
SCHEMBL1751585 0.72 L3MBTL1 (0.42) L3MBTL1KDM4EKMT2AMEN1TSHR
SCHEMBL7928086 0.68 HPGD (0.38) L3MBTL1KMT2AMEN1TSHRALDH1A1
SCHEMBL5010541 0.67 ALDH1A1 (0.51) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL289801 0.67 ALDH1A1 (0.43) L3MBTL1KDM4EKMT2AMEN1TSHR
SCHEMBL27721820 0.64 L3MBTL1 (0.56) L3MBTL1KDM4EKMT2AMEN1TSHR
SCHEMBL3912497 0.63 EPHX2 (0.45) KDM4EMAPTLMNA
SCHEMBL1580142 0.63 L3MBTL1 (0.39) L3MBTL1KDM4EKMT2AMEN1NPC1
SCHEMBL1751111 0.62 L3MBTL1 (0.57) L3MBTL1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL2219641 0.62 FFAR1 (0.42) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL25247891 0.62 CHRNB4 (0.45) L3MBTL1KDM4EKMT2AMEN1ALDH1A1

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-7968590-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-06-28 US disclosed