SCHEMBL7945147

SCHEMBL7945147

O=C(c1ccccc1)C(CO)(OC(CO)(C(=O)c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 8/20 0.49
CES2 O00748 5/20 0.41
DAO P14920 1/20 0.41
TSHR P16473 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
SRC P12931 1/20 0.41
MAPK1 P28482 2/20 0.39
HIF1A Q16665 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F2 P00734 1/20 0.38
LMNA P02545 1/20 0.38
PTPN1 P18031 2/20 0.37

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
SCHEMBL36097 0.86 CES1 (0.59) CES1CES2TSHRSRCMAPK1
SCHEMBL5574740 0.84 CES1 (0.49) CES1CES2SRCHIF1AMEN1
SCHEMBL1255415 0.84 LMNA (0.50) CES1CES2TSHRSRCCYP3A4
SCHEMBL868096 0.84 CES1 (0.51) CES1CES2TSHRSRCMAPK1
SCHEMBL11343797 0.82 CES1 (0.46) CES1CES2TSHRSRCHIF1A
SCHEMBL11579454 0.82 CES1 (0.42) CES1CES2DAOTSHRNAPRT
SCHEMBL3251384 0.81 CES1 (0.49) CES1CES2TSHRSRCMAPK1
SCHEMBL10880596 0.81 CES1 (0.45) CES1CES2DAOTSHRNAPRT
SCHEMBL455255 0.80 CES1 (0.44) CES1CES2SRCMAPK1HIF1A
SCHEMBL5913016 0.80 CES1 (0.45) CES1CES2TSHRSRCMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6264839-B1 FORINHIBITING SCALE DEPOSITION IN A WATER-CARRYING SYSTEM SUBJECT TO SCALE FORMATION SUCH AS REACTOR, A DISTILLATION APPARATUS, A BOILER AND A STEAM GENERATOR BASF AKTIENGESELLSCHAFT (DE) 2001-07-24 US disclosed
US-5232603-A Antideposit agents; antiscaling agents BASF AKTIENGESELLSCHAFT (DE) 1993-08-03 US disclosed
US-4774303-A ADDITION POLYMERIZATION WITH FREE RADICAL CATALYSTS BASF AKTIENGESELLSCHAFT (DE) 1988-09-27 US disclosed
US-4632897-A Photopolymerizable recording material suitable for the production of photoresist layers BASF AKTIENGESELLSCHAFT (DE) 1986-12-30 US disclosed
US-4011084-A FLUID PHOTO-CROSSLINKABLE COMPOSITIONS FOR THE MANUFACTURE OF RELIEF PRINTING PLATES BASF AKTIENGESELLSCHAFT (DT) 1977-03-08 US disclosed