SCHEMBL9313743

SCHEMBL9313743

CC1(C)Oc2ccc(C(=O)C(F)(F)F)cc2C(O)C1Br

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.38
ABCC9 O60706 1/20 0.38
IDO1 P14902 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
SCHEMBL9195128 0.85 ABCC9 (0.40) ABCC9IDO1
SCHEMBL9195110 0.85 ABCC9 (0.40) ABCC9IDO1
SCHEMBL9195123 0.85 ABCC9 (0.40) ABCC9IDO1
SCHEMBL9315164 0.80 ACHE (0.40) ACHE
SCHEMBL7324904 0.80 ABCC9 (0.51) ABCC9IDO1
SCHEMBL9869515 0.80 SMN1; SMN2 (0.39) ABCC9IDO1
SCHEMBL9869526 0.80 SMN1; SMN2 (0.39) ABCC9IDO1
SCHEMBL9869534 0.80 SMN1; SMN2 (0.39) ABCC9IDO1
SCHEMBL9753173 0.79 IDO1 (0.36) ABCC9IDO1
SCHEMBL9753172 0.79 IDO1 (0.36) ABCC9IDO1

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
US-5284838-A Hypotensive agents ELF SANOFI (FR) 1994-02-08 US disclosed