SCHEMBL3080384

SCHEMBL3080384

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
SLC7A5 Q01650 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MRGPRX4 Q96LA9 2/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
PLA2G4B P0C869 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34

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
SCHEMBL3080378 0.95 SLC7A5 (0.39) SLC7A5CYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL3098917 0.87 MAPT (0.42) KMT2ACYP1A2CYP2D6CYP2C19TP53
SCHEMBL3087845 0.86 KMT2A (0.43) KMT2ANPC1RAB9APOLBCYP2C9
SCHEMBL3096170 0.85 CYP1A2 (0.42) KMT2ANPC1RAB9APOLBCYP2C9
SCHEMBL3098898 0.83 CYP1A2 (0.37) CYP2C9CYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL3096149 0.79 CYP1A2 (0.42) KMT2ASLC7A5CYP1A2CYP2D6CYP2C19
SCHEMBL7946047 0.78 KMT2A (0.46) KMT2ANPC1RAB9APOLBCYP2C9
SCHEMBL2185343 0.75 KMT2A (0.48) KMT2ANPC1RAB9ASMN1; SMN2MRGPRX4
Isophthalic Acid SCHEMBL6038272 0.74 KMT2A (0.51) KMT2ACYP2C9CYP1A2ALDH1A1TAS1R3
SCHEMBL4762259 0.73 RXRA (0.46) KMT2ANPC1RAB9APOLBCYP2C9

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 4 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
US-20090275698-A1 Method of Making Polybutylene Terephthalate and Compositions and Articles Comprising the Same SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2009-11-05 US claimed
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 disclosed
US-20090275698-A1 Method of Making Polybutylene Terephthalate and Compositions and Articles Comprising the Same SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2009-11-05 US disclosed