SCHEMBL14920749

SCHEMBL14920749

COc1ccc(CCC(C)C(=O)NO)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
ALDH1A1 P00352 2/20 0.54
F2RL1 P55085 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
ANPEP P15144 1/20 0.51
MMP1 P03956 4/20 0.49
MMP3 P08254 4/20 0.49
MMP2 P08253 3/20 0.49
PDE4A P27815 3/20 0.49
PDE4B Q07343 3/20 0.49
PDE4C Q08493 3/20 0.49
PDE4D Q08499 3/20 0.49
GAA P10253 1/20 0.48
RECQL P46063 1/20 0.48
MMP13 P45452 2/20 0.48
MMP8 P22894 1/20 0.48
MMP12 P39900 1/20 0.48

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
SCHEMBL14920623 0.82 TSHR (0.64) TSHRANPEP
SCHEMBL17873232 0.82 LDHA (0.59) ALDH1A1F2RL1SMN1; SMN2HTTMMP3
SCHEMBL8256096 0.80 TSHR (1.00) TSHRALDH1A1SMN1; SMN2HTTANPEP
SCHEMBL5616235 0.80 KDM4E (0.62) TSHRALDH1A1HTTMMP1MMP3
SCHEMBL7277594 0.76 HTT (0.56) ALDH1A1F2RL1SMN1; SMN2HTT
SCHEMBL25306507 0.75 ALDH1A1 (0.72) ALDH1A1F2RL1SMN1; SMN2HTTGAA
SCHEMBL28126646 0.75 LDHA (0.68) ALDH1A1F2RL1SMN1; SMN2HTT
SCHEMBL2238188 0.74 HTT (0.59) ALDH1A1F2RL1SMN1; SMN2HTT
SCHEMBL2942342 0.74 HTT (0.59) ALDH1A1F2RL1SMN1; SMN2HTT
SCHEMBL8837562 0.74 HTT (0.51) ALDH1A1SMN1; SMN2HTT

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-2788326-A1 N-(PYRID-4-YL)AMIDES AND N-(PYRIMIDIN-4-YL)AMIDES AND THEIR PHARMACEUTICAL AND COSMETIC USE Galderma Research & Development (FR) 2014-10-15 EP disclosed
WO-2013064681-A1 N-(PYRID-4-YL)AMIDES AND N-(PYRIMIDIN-4-YL)AMIDES AND THEIR PHARMACEUTICAL AND COSMETIC USE GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-05-10 WO disclosed