SCHEMBL4968326

SCHEMBL4968326

CCC(C(=O)O)C(C(=O)O)(C(=O)O)C(=O)O.CCC(C(=O)O)C(C(=O)O)(C(=O)O)C(=O)O.CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
HSPD1 P10809 1/20 0.43
BLM P54132 1/20 0.43
HSPE1 P61604 1/20 0.43
THRB P10828 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
USP2 O75604 1/20 0.42
HCAR2 Q8TDS4 1/20 0.40
PLA2G2C Q5R387 4/20 0.40
GPR84 Q9NQS5 3/20 0.38
NAAA Q02083 1/20 0.38
FFAR1 O14842 1/20 0.38
P2RY10 O00398 1/20 0.38

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
SCHEMBL2761368 0.84 HCAR2 (0.45) MEN1KMT2AHSPD1BLMHSPE1
SCHEMBL23152436 0.84 HCAR2 (0.45) MEN1KMT2AHSPD1BLMHSPE1
SCHEMBL21801484 0.84 HCAR2 (0.45) MEN1KMT2AHSPD1BLMHSPE1
SCHEMBL8830168 0.84 HCAR2 (0.45) MEN1KMT2AHSPD1BLMHSPE1
SCHEMBL29174 0.80 HSPD1 (0.36) MEN1KMT2AHSPD1BLMHSPE1
Ether SCHEMBL4967124 0.78 MEN1 (0.32) MEN1KMT2AHSPD1BLMHSPE1
SCHEMBL854470 0.78 HSPD1 (0.35) MEN1KMT2AHSPD1BLMHSPE1
Water SCHEMBL4967126 0.78 HSPD1 (0.35) MEN1KMT2AHSPD1BLMHSPE1
Ammonia Solution, Strong SCHEMBL11691037 0.78 HSPD1 (0.35) MEN1KMT2AHSPD1BLMHSPE1
SCHEMBL11749741 0.78 HSPD1 (0.35) MEN1KMT2AHSPD1BLMHSPE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1511814-B1 WATER-BASED PIGMENT INKS, IMAGE RECORDING METHOD, AND IMAGE RECORDING SYSTEM DAINICHISEIKA COLOR CHEM (JP) 2008-06-25 EP claimed
EP-1511814-B1 WATER-BASED PIGMENT INKS, IMAGE RECORDING METHOD, AND IMAGE RECORDING SYSTEM DAINICHISEIKA COLOR CHEM (JP) 2008-06-25 EP disclosed
US-7361698-B2 Water-based pigment inks, image recording method, and image recording system DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2008-04-22 US disclosed
EP-1511814-A4 WATER-BASED PIGMENT INKS, IMAGE RECORDING METHOD, AND IMAGE RECORDING SYSTEM DAINICHISEIKA COLOR CHEM (JP) 2005-11-16 EP disclosed
EP-1511814-A1 WATER-BASED PIGMENT INKS, IMAGE RECORDING METHOD, AND IMAGE RECORDING SYSTEM DAINICHISEIKA COLOR & CHEMICALS MFG. CO. LTD. (JP) 2005-03-09 EP disclosed
US-20040198869-A1 Water-based pigment inks, image recording method, and image recording system DAINICHISEIKA COLOR & CHEMICALS MFG. CO. LTD. (JP) 2004-10-07 US disclosed
WO-2003102092-A1 WATER-BASED PIGMENT INKS, IMAGE RECORDING METHOD, AND IMAGE RECORDING SYSTEM DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2003-12-11 WO disclosed