SCHEMBL20857064

SCHEMBL20857064

NC(=O)Cc1ccc(Oc2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 3/20 0.46
STK39 Q9UEW8 1/20 0.44
RAF1 P04049 1/20 0.43
NR3C1 P04150 2/20 0.42
TTR P02766 1/20 0.42
LPAR1 Q92633 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
CTNNB1 P35222 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FFAR1 O14842 2/20 0.40
SUCNR1 Q9BXA5 1/20 0.40

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
SCHEMBL3900976 0.81 TTR (0.64) NR1H3STK39RAF1TTRLPAR1
SCHEMBL12238995 0.81 LOXL2 (0.46) STK39RAF1TTRLPAR1LPAR5
SCHEMBL17653947 0.80 ALDH1A1 (0.45) RXRARXRBRXRGSMN1; SMN2
SCHEMBL27854362 0.76 FFAR4 (0.46) TTRCTNNB1SMN1; SMN2
SCHEMBL3320732 0.76 RXRA (0.54) NR1H3RXRARXRBRXRG
SCHEMBL8059639 0.76 TTR (0.62) STK39RAF1TTRLPAR1LPAR5
Hydrochloric Acid SCHEMBL4027240 0.75 RXRA (0.53) NR1H3RXRARXRBRXRG
SCHEMBL2734987 0.74 SRD5A2 (0.62) NR3C1SMN1; SMN2FFAR1
SCHEMBL1395777 0.73 FFAR1 (0.56) SMN1; SMN2FFAR1
SCHEMBL12984838 0.73 NR3C2 (0.52) NR1H3

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-3688472-A1 CONJUGATED PROTEINS AND USES THEREOF The Scripps Research Institute (US) 2020-08-05 EP disclosed
WO-2019067741-A1 CONJUGATED PROTEINS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2019-04-04 WO disclosed