SCHEMBL177388

SCHEMBL177388

CC[C@H](Cl)Oc1ccccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
RECQL P46063 1/20 0.53
HSD17B10 Q99714 7/20 0.51
HPGD P15428 5/20 0.51
ALDH1A1 P00352 9/20 0.50
ESR1 P03372 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
HMGB1 P09429 1/20 0.50
TSHR P16473 1/20 0.50
GGT1 P19440 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
BLM P54132 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTT P42858 4/20 0.47
PTK2B Q14289 1/20 0.47

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
SCHEMBL28329498 1.00 KDM4E (0.53) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL554352 0.83 KDM4E (0.55) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL11044263 0.82 ALDH1A1 (0.58) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL122686 0.81 KDM4E (0.54) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL1899339 0.81 KDM4E (0.54) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL18700983 0.81 KDM4E (0.56) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL4299205 0.80 KDM4E (0.55) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL28328235 0.80 ALDH1A1 (0.61) KDM4EHSD17B10ALDH1A1TSHRTDP1
SCHEMBL6836605 0.80 KDM4E (0.56) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL5512458 0.80 KDM4E (0.53) KDM4EKMT2AMEN1RECQLHSD17B10

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
EP-2344484-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010043000-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed