SCHEMBL16775439

SCHEMBL16775439

CC(F)(F)Oc1ccccc1-n1ccc(-c2ccc(C(=O)O)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.38
RXRB P28702 6/20 0.38
RXRG P48443 5/20 0.38
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 0.38
TUBA1A Q71U36 2/20 0.38
TUBA1C Q9BQE3 2/20 0.38
TUBB6 Q9BUF5 2/20 0.38
TUBB2B Q9BVA1 2/20 0.38
TUBB1 Q9H4B7 2/20 0.38
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38

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
SCHEMBL181740 0.90 RXRA (0.48) RXRARXRBRXRGTUBB4ATUBB
SCHEMBL182133 0.84 TUBB4A (0.53) RXRATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16775446 0.78 RXRA (0.42) RXRARXRBRXRGTUBB4ATUBB
SCHEMBL181687 0.77 TUBB4A (0.45) RXRARXRBTUBB4ATUBBTUBA3C
SCHEMBL181968 0.77 PTGS1 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2711144 0.75 EGFR (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL181986 0.74 TUBB4A (0.44) RXRARXRBTUBB4ATUBBTUBA3C
SCHEMBL2711797 0.74 RXRA (0.43) RXRARXRBRXRGSRD5A2ADH5
SCHEMBL2712172 0.72 ALDH1A1 (0.42) SRD5A2ADH5POLBNPC1RAB9A
SCHEMBL182263 0.72 ADH5 (0.55) BCL2L1BADSRD5A2ADH5NPC1

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-9051342-B2 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation related diseases PTC THERAPEUTICS, INC. (US) 2015-06-09 US disclosed