SCHEMBL23398209

SCHEMBL23398209

CCCCC(CC)C(=O)OC(=O)c1ccccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
ALDH1A1 P00352 4/20 0.51
CA2 P00918 2/20 0.51
CYP3A4 P08684 2/20 0.51
TDP1 Q9NUW8 3/20 0.49
CA1 P00915 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
GAA P10253 1/20 0.47
XBP1 P17861 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
TSHR P16473 6/20 0.45
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43

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
SCHEMBL28356999 0.91 ALDH1A1 (0.60) LMNAALDH1A1CA2CYP3A4TDP1
SCHEMBL6565527 0.84 ALDH1A1 (0.49) LMNAALDH1A1CA2CYP3A4TDP1
SCHEMBL7790573 0.83 LMNA (0.60) LMNAALDH1A1CA2CYP3A4TDP1
SCHEMBL9722572 0.82 ALDH1A1 (0.47) LMNAALDH1A1CA2CYP3A4CA1
SCHEMBL27678034 0.81 CA2 (0.51) LMNAALDH1A1CA2CYP3A4TDP1
SCHEMBL14996265 0.81 LMNA (0.56) LMNAALDH1A1CA2CYP3A4CA1
SCHEMBL1957684 0.80 PRSS1 (0.61) LMNAALDH1A1CA2CYP3A4TDP1
SCHEMBL15993621 0.78 LMNA (0.54) LMNAALDH1A1CA2CYP3A4TDP1
Octisalate SCHEMBL31160278 0.78 LMNA (1.00) LMNAALDH1A1CA2CYP3A4TDP1
Octisalate SCHEMBL31160283 0.78 LMNA (1.00) LMNAALDH1A1CA2CYP3A4TDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2669315-B1 POLYANILINE COMPOSITE, METHOD FOR PRODUCING SAME, AND COMPOSITION IDEMITSU KOSAN CO (JP) 2021-06-02 EP claimed