SCHEMBL8211136

SCHEMBL8211136

CCCCCC(O)Oc1ccccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
RECQL P46063 1/20 0.58
ALDH1A1 P00352 6/20 0.53
HSD17B10 Q99714 3/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 4/20 0.45
ESR1 P03372 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
HMGB1 P09429 1/20 0.45
GGT1 P19440 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
BLM P54132 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PRSS1 P07477 1/20 0.45

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
SCHEMBL7877088 0.87 KDM4E (0.60) KDM4EKMT2AMEN1RECQLALDH1A1
SCHEMBL30506112 0.87 KDM4E (0.60) KDM4EKMT2AMEN1RECQLALDH1A1
SCHEMBL4662850 0.86 ABCB1 (0.51) KDM4EKMT2AMEN1RECQLALDH1A1
SCHEMBL2298660 0.86 ABCB1 (0.51) KDM4EKMT2AMEN1RECQLALDH1A1
SCHEMBL15263303 0.85 KDM4E (0.58) KDM4EKMT2AMEN1RECQLALDH1A1
SCHEMBL3185045 0.85 KDM4E (0.58) KDM4EKMT2AMEN1RECQLALDH1A1
SCHEMBL2374608 0.85 KDM4E (0.58) KDM4EKMT2AMEN1RECQLALDH1A1
SCHEMBL17309764 0.85 KDM4E (0.58) KDM4EKMT2AMEN1RECQLALDH1A1
SCHEMBL17309756 0.85 KDM4E (0.58) KDM4EKMT2AMEN1RECQLALDH1A1
SCHEMBL5453802 0.85 KDM4E (0.58) KDM4EKMT2AMEN1RECQLALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6013197-A POLYMERIZABLE, MONO- OR DI-REACTIVE LIQUID CRYSTAL WITH DIFFERENT CORE GROUPS; LOW MELTING POINT AND WIDE LIQUID CRYSTAL PHASE RANGE, PARTICULARLY NEMATIC; USE IN INTEGRATED OPTICS, OPTOELECTRONICS OR INFORMATION STORAGE COMPONENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-01-11 US disclosed
US-5720900-A PHOTOPOLYMERIZABLE ACRYLATE ESTERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-02-24 US disclosed
US-5518652-A PREPARED BY IN SITU PHOTOPOLYMERIZATION MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-05-21 US disclosed