SCHEMBL8033345

SCHEMBL8033345

CCC(Oc1ccc(F)cc1C(F)(F)F)C(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.48
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
FAAH O00519 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
EEF2K O00418 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
SCHEMBL8035741 0.81 ALDH1A1 (0.54) PPARGALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL8033268 0.81 KDM4E (0.45) PPARGALDH1A1KMT2AMEN1FAAH
SCHEMBL8033227 0.79 ALDH1A1 (0.59) PPARGALDH1A1SMN1; SMN2SIGMAR1KMT2A
SCHEMBL8035752 0.79 PPARA (0.55) ALDH1A1SMN1; SMN2SIGMAR1KMT2AMEN1
SCHEMBL8020077 0.78 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KMT2AMEN1FAAH
SCHEMBL8029589 0.78 TSHR (0.61) ALDH1A1SMN1; SMN2KMT2AMEN1FAAH
Hydrochloric Acid SCHEMBL8887455 0.77 TSHR (0.60) ALDH1A1SMN1; SMN2KMT2AMEN1FAAH
SCHEMBL8910223 0.74 KMT2A (0.61) ALDH1A1SMN1; SMN2SIGMAR1KMT2AMEN1
SCHEMBL5064012 0.74 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2SIGMAR1KMT2AMEN1
SCHEMBL8033255 0.74 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2KMT2AMEN1FAAH

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-0702010-B1 Benzopyranderivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-03-15 EP disclosed
US-5668138-A AFFINITY FOR SIGMA RECEPTORS, CENTRAL NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1997-09-16 US disclosed