SCHEMBL3085264

SCHEMBL3085264

CCCC(O)C(C)(O)OC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PLA2G4B P0C869 3/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
RXRA P19793 3/20 0.37
RXRB P28702 3/20 0.37
RXRG P48443 1/20 0.36
SRD5A2 P31213 1/20 0.36
KMT2A Q03164 1/20 0.36
RARB P10826 1/20 0.36

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
SCHEMBL3087845 0.86 KMT2A (0.43) ALDH1A1TP53CYP1A2CYP2D6CYP2C19
SCHEMBL3098917 0.84 MAPT (0.42) MAPTALDH1A1PLA2G4BMAPK1TP53
SCHEMBL673214 0.80 MAPT (0.45) MAPTALDH1A1MAPK1TP53TSHR
SCHEMBL3098898 0.77 CYP1A2 (0.37) MAPTALDH1A1MAPK1TSHRCYP1A2
SCHEMBL1648606 0.76 MAPT (0.49) MAPTALDH1A1PLA2G4BTP53TSHR
Benzoic Acid SCHEMBL1784532 0.75 TSHR (0.47) ALDH1A1TSHRCYP2D6SRD5A2KMT2A
SCHEMBL7798997 0.75 MAPT (0.44) MAPTALDH1A1PLA2G4BTP53TSHR
SCHEMBL27508833 0.74 ALDH1A1 (0.50) MAPTALDH1A1PLA2G4BTP53TSHR
SCHEMBL6906427 0.74 MAPT (0.46) MAPTALDH1A1PLA2G4BTP53TSHR
SCHEMBL7115499 0.73 TSHR (0.50) MAPTALDH1A1TP53TSHRRXRA

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 6 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-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
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