SCHEMBL3093189

SCHEMBL3093189

CCC(O)(CCO)OC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
PLA2G4B P0C869 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCL2 P10415 1/20 0.36
SRD5A2 P31213 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
SCHEMBL3098902 0.87 TP53 (0.43) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL3096154 0.85 KMT2A (0.41) CYP1A2KMT2ACYP2D6CYP2C19TP53
SCHEMBL3085257 0.79 TP53 (0.44) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL29068679 0.79 ALDH1A1 (0.44) MAPTALDH1A1CYP1A2KMT2ACYP2D6
SCHEMBL2788009 0.78 ALDH1A1 (0.52) MAPTALDH1A1CYP1A2MEN1KMT2A
SCHEMBL27508833 0.77 ALDH1A1 (0.50) MAPTALDH1A1CYP1A2MEN1KMT2A
SCHEMBL1648606 0.76 MAPT (0.49) MAPTALDH1A1CYP1A2MEN1KMT2A
SCHEMBL12638979 0.75 ALDH1A1 (0.52) MAPTALDH1A1CYP1A2MEN1KMT2A
SCHEMBL3080380 0.74 KMT2A (0.42) KMT2ATP53TSHRPLA2G4BSMN1; SMN2
Benzoic Acid SCHEMBL28342737 0.73 TSHR (0.50) MAPTALDH1A1CYP1A2MEN1KMT2A

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