SCHEMBL8356356

SCHEMBL8356356

CC(C)(Cc1ccccc1)CC(CC(C)(C)Cc1ccccc1)(C(=O)[O-])C(C(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

nearest known ligand 0.35

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 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.35
POLB P06746 1/20 0.35
ALPG P10696 1/20 0.35
MMP1 P03956 3/20 0.34
MMP9 P14780 3/20 0.34
MMP13 P45452 3/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPRA P18433 1/20 0.34
PTPRB P23467 1/20 0.34
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
SLC6A2 P23975 1/20 0.32

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
SCHEMBL8644483 0.75 HDAC3 (0.44) MMP1ALDH1A1MAPTSMN1; SMN2HDAC3
SCHEMBL8356358 0.74 ALDH1A1 (0.33) ALPLPOLBALPGMMP1MMP9
SCHEMBL17512883 0.73 ALDH1A1 (0.36) ALPLPOLBALPGMMP1MMP9
SCHEMBL21269499 0.67 MMP8 (0.50) ALPLPOLBALPGTRPA1ALDH1A1
SCHEMBL18342942 0.67 SMN1; SMN2 (0.44) PTPN2PTPN1PTPRAPTPRBCYP2C9
SCHEMBL587186 0.67 CA2 (0.33) CYP3A4
Lithium Ion SCHEMBL21269990 0.66 MMP8 (0.49) ALPLPOLBALPGTRPA1ALDH1A1
Potassium Ion SCHEMBL21269052 0.66 MMP8 (0.49) ALPLPOLBALPGTRPA1ALDH1A1
Potassium Ion SCHEMBL31105848 0.66 CYP3A4 (0.34) CYP3A4
SCHEMBL7643169 0.65 CTSL (0.39) MMP1MMP9MMP13PTPN2PTPN1

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-5998120-A Process for making a direct dispersion of a photographically useful material EASTMAN KODAK COMPANY (US) 1999-12-07 US disclosed
US-5952521-A A DI-PHENYLALKYL SULPHOSUCCINATE DISPERSANT FOR IMPROVING PHOTOGRAPHIC PERFORMANCE WITH DISPERSIONS OF A PHOTOGRAPHIC COUPLER IN A HYDROPHILIC COLLOID EASTMAN KODAK COMPANY (US) 1999-09-14 US disclosed
US-5763150-A DISPERSING AIDS; PHOTOGRAPHY EASTMAN KODAK COMPANY (US) 1998-06-09 US disclosed