SCHEMBL3087845

SCHEMBL3087845

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
SLC7A5 Q01650 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
RAB9A P51151 1/20 0.40
PTPN11 Q06124 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
PRSS1 P07477 1/20 0.37
CTSG P08311 1/20 0.37
CTRB1 P17538 1/20 0.37
CMA1 P23946 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.37
FOLH1 Q04609 1/20 0.37
RXRA P19793 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
SCHEMBL3085264 0.86 MAPT (0.43) KMT2ACYP1A2CYP2D6CYP2C19RXRA
SCHEMBL3080384 0.86 KMT2A (0.42) KMT2ASLC7A5NPC1POLBCYP2C9
SCHEMBL3080378 0.80 SLC7A5 (0.39) SLC7A5CYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL4762259 0.77 RXRA (0.46) KMT2ASLC7A5NPC1POLBCYP2C9
SCHEMBL2185343 0.76 KMT2A (0.48) KMT2ANPC1RAB9AMRGPRX4FOLH1
SCHEMBL14034755 0.76 SLC7A5 (0.37) KMT2ASLC7A5NPC1RAB9ACYP1A2
SCHEMBL7946047 0.76 KMT2A (0.46) KMT2ASLC7A5NPC1POLBCYP2C9
SCHEMBL3096170 0.76 CYP1A2 (0.42) KMT2ASLC7A5NPC1POLBCYP2C9
Isophthalic Acid SCHEMBL6038272 0.75 KMT2A (0.51) KMT2ACYP2C9CYP1A2FOLH1TAS1R3
SCHEMBL40750 0.75 SLC7A5 (0.56) KMT2ASLC7A5NPC1POLBCYP2C9

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