SCHEMBL7870130

SCHEMBL7870130

C[C@H](N)C(=O)Oc1ccccc1C(=O)[C@H](C)N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
HSD17B10 Q99714 7/20 0.45
HPGD P15428 6/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
ESR1 P03372 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HMGB1 P09429 1/20 0.43
GGT1 P19440 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
BLM P54132 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ELANE P08246 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL9850317 0.86 KDM4E (0.62) KDM4EHSD17B10HPGDIRAK4ALDH1A1
SCHEMBL27999260 0.86 IRAK4 (0.62) KDM4EHSD17B10HPGDIRAK4ALDH1A1
SCHEMBL2854249 0.86 KMT2A (0.50) KDM4EHSD17B10HPGDIRAK4ALDH1A1
SCHEMBL19625924 0.86 KDM4E (0.62) KDM4EHSD17B10HPGDIRAK4ALDH1A1
SCHEMBL9850320 0.86 KDM4E (0.62) KDM4EHSD17B10HPGDIRAK4ALDH1A1
SCHEMBL9655977 0.84 KDM4E (0.41) KDM4EHSD17B10HPGDIRAK4ALDH1A1
SCHEMBL10584609 0.82 KDM4E (0.41) KDM4EHSD17B10HPGDIRAK4ALDH1A1
SCHEMBL9041066 0.82 CTSD (0.56) HPGDIRAK4ALDH1A1KMT2AHTT
SCHEMBL19100621 0.82 KDM4E (0.41) KDM4EHSD17B10HPGDIRAK4ALDH1A1
SCHEMBL2588916 0.82 ELANE (0.59) KDM4EHSD17B10HPGDALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5757408-A PRINTING IMAGE ON SUBSTRATE COATED WITH AMINO-ACID DERIVATIVE ADDITIVE; QUICK DRYING OF INK, OPTICAL DENSITY, NONCURLING XEROX CORPORATION (US) 1998-05-26 US claimed
US-5683793-A Ink jet transparencies XEROX CORPORATION (US) 1997-11-04 US claimed
US-5589277-A INK JET PRINTING, AQUEOUS INKS, FAST DRYING XEROX CORPORATION (US) 1996-12-31 US claimed
EP-0667246-A1 Recording sheets containing amino acids, hydroxy acids, and polycarboxyl compounds XEROX CORPORATION (US) 1995-08-16 EP claimed
EP-0882768-B1 Method for producing of phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2001-12-19 EP disclosed
US-6034236-A REACTING A PHTHALONITRILE WITH A METAL OXIDE IN PRESENCE OF A SULFONIC ACID CATALYST NIPPON SHOKUBAI CO., LTD. (JP) 2000-03-07 US disclosed
EP-0882768-A2 Method for producing of phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 1998-12-09 EP disclosed
US-3948821-A Solid amino acid products for polypeptide synthesis and method of manufacture thereof ROHM AND HAAS COMPANY (US) 1976-04-06 US disclosed