SCHEMBL11005490

SCHEMBL11005490

C=CCC(C)(OC(N)=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
ALDH1A1 P00352 5/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
CYP2C19 P33261 3/20 0.42
HIF1A Q16665 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.36
KCNN4 O15554 1/20 0.35
KIF11 P52732 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
ALOX15 P16050 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
SCHEMBL3073772 0.81 HTT (0.58) HTTALDH1A1TSHRKMT2AMAPT
SCHEMBL29118559 0.80 KMT2A (0.48) HTTALDH1A1KMT2AMAPTCYP2C19
SCHEMBL27596019 0.80 MAPT (0.48) HTTALDH1A1KMT2AMAPTCYP2C19
SCHEMBL2283147 0.80 MAPT (0.48) HTTALDH1A1KMT2AMAPTCYP2C19
SCHEMBL10518614 0.79 MAPT (0.47) HTTALDH1A1KMT2AMAPTCYP2C19
SCHEMBL16028069 0.79 MAPT (0.47) HTTALDH1A1KMT2AMAPTCYP2C19
SCHEMBL7619909 0.78 SLC6A2 (0.48) ALDH1A1KMT2AMAPTCYP2C19HIF1A
SCHEMBL29118554 0.78 MAPT (0.46) HTTALDH1A1KMT2AMAPTCYP2C19
SCHEMBL27838486 0.78 MAPT (0.46) KMT2AMAPTCYP2C19HIF1ASMN1; SMN2
SCHEMBL28558462 0.76 CYP2D6 (0.45) KMT2AMAPTCYP2C19HIF1ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0130680-A2 Cure to elastomers composition LOCTITE CORPORATION (US) 1985-01-09 EP disclosed
US-4439600-A Cure to elastomers compositions LOCTITE CORPORATION (US) 1984-03-27 US disclosed