SCHEMBL6863945

SCHEMBL6863945

O=C(CCCCCC(=O)Oc1ccc(C(=O)O)cc1)Oc1ccc(C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
HTT P42858 3/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 2/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.49
SLC22A2 O15244 1/20 0.49
TMPRSS2 O15393 1/20 0.49
F2 P00734 1/20 0.49
F10 P00742 1/20 0.49
PLG P00747 1/20 0.49
F12 P00748 1/20 0.49
PLAU P00749 1/20 0.49
PLAT P00750 1/20 0.49

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
SCHEMBL5792985 0.98 KMT2A (0.59) KMT2APRSS1PRSS2PRSS3HTT
SCHEMBL12411508 0.95 KMT2A (0.53) KMT2APRSS1PRSS2PRSS3HTT
SCHEMBL6863947 0.95 KMT2A (0.53) KMT2APRSS1PRSS2PRSS3HTT
SCHEMBL28410126 0.95 KMT2A (0.53) KMT2APRSS1PRSS2PRSS3HTT
SCHEMBL6866158 0.94 KMT2A (0.55) KMT2AHTTHSD17B10TP53TSHR
SCHEMBL12902938 0.93 KMT2A (0.51) KMT2APRSS1PRSS2PRSS3HTT
SCHEMBL5792981 0.93 KMT2A (0.54) KMT2APRSS1PRSS2PRSS3HTT
SCHEMBL1615177 0.92 TP53 (0.64) KMT2AHTTTP53TSHRMEN1
SCHEMBL7777446 0.92 TP53 (0.64) KMT2AHTTTP53TSHRMEN1
SCHEMBL2255418 0.92 TP53 (0.64) KMT2AHTTTP53TSHRMEN1

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
CN-111263761-B Novel polymer and diamine compound 日产化学株式会社 2022-11-04 CN disclosed
US-6808766-B1 ALIGNMENT AGENT COMPRISING POLYURETHANE OR POLYUREA, USED IN ALIGNMENT OF LIQUID CRYSTAL MOLECULES THAT FORM LIQUID CRYSTAL ALIGNMENT FILM BY IRRADIATING THIN ALIGNMENT FILM FORMED ON SUBSTRATE WITH POLARIZED LIGHT OR ELECTRON RAYS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-10-26 US disclosed
EP-1111442-A1 TREATING AGENT FOR LIQUID CRYSTAL ALIGNMENT LAYER AND LIQUID CRYSTAL DEVICE USING THE SAME, AND METHOD FOR ALIGNMENT OF LIQUID CRYSTAL Nissan Chemical Industries, Ltd. (JP) 2001-06-27 EP disclosed