SCHEMBL3096154

SCHEMBL3096154

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
RAB9A P51151 1/20 0.41
SLC7A5 Q01650 1/20 0.40
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 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
SCHEMBL3080380 0.88 KMT2A (0.42) KMT2ACYP4F2CYP4A11TP53SMN1; SMN2
SCHEMBL3093189 0.85 MAPT (0.45) KMT2ACYP2C19CYP1A2CYP2D6TP53
SCHEMBL3087841 0.81 KMT2A (0.43) KMT2ATP53SMN1; SMN2
SCHEMBL7946047 0.81 KMT2A (0.46) KMT2ANPC1POLBCYP2C9RAB9A
SCHEMBL4762259 0.76 RXRA (0.46) KMT2ANPC1POLBCYP2C9RAB9A
SCHEMBL3096170 0.75 CYP1A2 (0.42) KMT2ANPC1POLBCYP2C9RAB9A
SCHEMBL3087840 0.74 SMN1; SMN2 (0.42) NPC1CYP2C9RAB9ASLC7A5CYP2C19
SCHEMBL19856520 0.74 PLA2G4B (0.44) KMT2ANPC1POLBCYP2C9RAB9A
SCHEMBL40750 0.74 SLC7A5 (0.56) KMT2ANPC1POLBCYP2C9RAB9A
SCHEMBL7946046 0.74 CYP1A2 (0.44) KMT2ASLC7A5CYP2C19CYP1A2CYP2D6

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