SCHEMBL3088428

SCHEMBL3088428

CCC(O)OC(=O)c1cccc(C(=O)OC(O)CC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCD Q05655 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 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
SCHEMBL9989638 0.93 KMT2A (0.46) MAPTRAB9ANPC1HTTSMN1; SMN2
SCHEMBL344615 0.87 TSHR (0.55) RAB9ANPC1HTTSMN1; SMN2PRKCA
SCHEMBL3074456 0.86 PRKCA (0.45) MAPTRAB9ANPC1HTTSMN1; SMN2
SCHEMBL2962888 0.84 CA12 (0.48) MAPTRAB9ASMN1; SMN2CYP4F2CYP4A11
SCHEMBL10884435 0.83 PRKCA (0.42) MAPTRAB9ANPC1HTTSMN1; SMN2
SCHEMBL7181542 0.83 PRKCA (0.53) MAPTRAB9ANPC1HTTSMN1; SMN2
SCHEMBL5375275 0.81 MAPT (0.48) MAPTRAB9ANPC1HTTSMN1; SMN2
SCHEMBL2128862 0.81 ALDH1A1 (0.49) MAPTRAB9ANPC1PRKCAPRKCD
SCHEMBL2185343 0.80 KMT2A (0.48) MAPTRAB9ANPC1HTTSMN1; SMN2
SCHEMBL3358299 0.80 MAPT (0.44) MAPTRAB9ANPC1HTTSMN1; SMN2

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-7799892-B2 Method of making polybutylene terephthalate and compositions and articles comprising the same SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2010-09-21 US claimed
EP-0379761-A1 Unsaturated polyesters and their preparation ARCO Chemical Technology, L.P. (US) 1990-08-01 EP claimed
CN-1498203-A Sophthalic acid glycol ester solution ��Ļ���Ű˾ 2004-05-19 CN disclosed
US-4045527-A MIXING POLYTETRAMETHYLENE GLYCOL RESIN PREPOLYMER WITH A DIISOCYANATE, A METAL SALT CURING CATALYST, AND A TETRAALKANOL AMINE CURING AGENT HITCO (US) 1977-08-30 US disclosed
US-3953387-A CONTAINING A CARBOXYLIC ACID AND A HINDERED PHENOL ATLANTIC RICHFIELD COMPANY (US) 1976-04-27 US disclosed