SCHEMBL5485773

SCHEMBL5485773

CCCCC(CC)CC(C(=O)O)C(CC(CC)CCCC)(C(=O)O)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 4/20 0.39
MAPK1 P28482 1/20 0.34
RECQL P46063 2/20 0.33
HSPD1 P10809 1/20 0.33
BLM P54132 1/20 0.33
HSPE1 P61604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL186952 0.87 RECQL (0.36) CA2MAPK1RECQLHSPD1BLM
SCHEMBL2425805 0.86 RECQL (0.36) CA2MAPK1RECQLHSPD1BLM
SCHEMBL20526055 0.86 RECQL (0.36) CA2MAPK1RECQLHSPD1BLM
SCHEMBL466503 0.86 RECQL (0.36) CA2MAPK1RECQLHSPD1BLM
Ammonia Solution, Strong SCHEMBL466472 0.86 RECQL (0.36) CA2MAPK1RECQLHSPD1BLM
SCHEMBL3797837 0.86 RECQL (0.36) CA2MAPK1RECQLHSPD1BLM
Ammonia Solution, Strong SCHEMBL466470 0.86 RECQL (0.36) CA2MAPK1RECQLHSPD1BLM
Ammonia Solution, Strong SCHEMBL3975598 0.86 RECQL (0.36) CA2MAPK1RECQLHSPD1BLM
SCHEMBL51226 0.86 RECQL (0.36) CA2MAPK1RECQLHSPD1BLM
SCHEMBL18244065 0.84 RECQL (0.34) CA2MAPK1RECQLHSPD1BLM

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-7166655-B2 Colored particulate dispersion, ink for ink-jet recording using the same, and ink-jet recording method FUJI PHOTO FILM CO., LTD. (JP) 2007-01-23 US disclosed
US-20020032252-A1 Colored particulate dispersion, ink for ink-jet recording using the same, and ink-jet recording method FUJIFILM CORPORATION (JP) 2002-03-14 US disclosed
US-4149891-A Diffusion transfer photographic materials comprising polyvinyl ether neutralizing layer KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1979-04-17 US disclosed