SCHEMBL7959904

SCHEMBL7959904

O=C(O)CN(CC(=O)O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.49
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CES2 O00748 1/20 0.44
LMNA P02545 1/20 0.44
SERPINE1 P05121 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL13673129 0.98 TACR1 (0.48) TACR1RXRARXRBRXRGL3MBTL1
SCHEMBL9408639 0.92 TDP1 (0.47) TACR1RXRARXRBRXRGL3MBTL1
SCHEMBL9408665 0.92 TDP1 (0.47) TACR1RXRARXRBRXRGL3MBTL1
SCHEMBL2475473 0.81 LSS (0.48) RXRARXRBRXRGCES2MEN1
SCHEMBL504122 0.76 RXRA (0.68) TACR1RXRARXRBRXRGCES2
SCHEMBL9408647 0.76 RHOC (0.45) TACR1L3MBTL1LMNA
SCHEMBL18360373 0.76 L3MBTL1 (0.51) TACR1RXRARXRBRXRGL3MBTL1
SCHEMBL10640593 0.75 LMNA (0.65) TACR1L3MBTL1LMNA
SCHEMBL9408547 0.75 TDP1 (0.47) LMNAMEN1KMT2A
SCHEMBL16085605 0.74 TACR1 (0.49) TACR1SERPINE1

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-6291478-B1 WEAKENING OR ELIMINATING THE IRRITANT EFFECT OF A PRODUCT HAVING AN IRRITANT EFFECT L'OREAL (FR) 2001-09-18 US disclosed