SCHEMBL8990023

SCHEMBL8990023

OCC(O)CCCCOCCCCC(O)CO

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.48
THRB P10828 2/20 0.46
LMNA P02545 2/20 0.40
PLA2G2C Q5R387 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.32
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 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
SCHEMBL5277484 0.93 THRB (0.46) USP2THRBLMNAPLA2G2CALDH1A1
SCHEMBL19638497 0.93 THRB (0.46) USP2THRBLMNAPLA2G2CALDH1A1
SCHEMBL6689967 0.91 THRB (0.48) USP2THRBLMNAPLA2G2CALDH1A1
SCHEMBL15508256 0.89 USP2 (0.60) USP2THRBLMNAPLA2G2CCYP3A4
SCHEMBL1022652 0.89 USP2 (0.60) USP2THRBLMNAPLA2G2CCYP3A4
SCHEMBL16218012 0.87 USP2 (0.69) USP2THRBLMNAPLA2G2CCYP3A4
SCHEMBL28566092 0.87 USP2 (0.63) USP2THRBLMNAPLA2G2CCYP3A4
SCHEMBL28189988 0.87 USP2 (0.69) USP2THRBLMNAPLA2G2CCYP3A4
SCHEMBL28391310 0.86 USP2 (0.55) USP2THRBLMNAPLA2G2CALDH1A1
SCHEMBL863361 0.85 THRB (0.48) USP2THRBLMNAPLA2G2CALDH1A1

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
EP-0336310-B1 Method for removing stains from fabrics and product to carry out this method BRUNNER THOMAS (DE) 1996-07-17 EP claimed
US-9163160-B2 Aqueous ink for inkjet, ink cartridge, and inkjet recording device RICOH COMPANY, LTD. (JP) 2015-10-20 US disclosed
US-20150077482-A1 AQUEOUS INK FOR INKJET, INK CARTRIDGE, AND INKJET RECORDING DEVICE RICOH COMPANY, LTD. (JP) 2015-03-19 US disclosed