SCHEMBL10360302

SCHEMBL10360302

CC(Oc1ncn(-c2cccc(C(F)(F)F)c2)n1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.43
POLB P06746 1/20 0.42
RXRA P19793 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
KMT2A Q03164 4/20 0.40
MAPT P10636 2/20 0.40
KCNJ6 P48051 1/20 0.40
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL10361148 0.90 NOTUM (0.44) NOTUMPOLBRXRAGRIN1GRIN2B
SCHEMBL10360343 0.89 HSD17B10 (0.45) NOTUMPOLBRXRAGRIN1GRIN2B
SCHEMBL10360322 0.88 RXRA (0.40) NOTUMPOLBRXRAGRIN1GRIN2B
SCHEMBL10361130 0.88 KCNJ6 (0.40) NOTUMPOLBRXRAGRIN1GRIN2B
SCHEMBL10360325 0.88 RXRA (0.40) NOTUMPOLBRXRAGRIN1GRIN2B
SCHEMBL10360316 0.87 ALDH1A1 (0.43) NOTUMPOLBRXRAGRIN1GRIN2B
SCHEMBL10360378 0.86 PPARD (0.44) ALDH1A1PTGDR2MAPT
SCHEMBL10361173 0.85 ACACB (0.45) NOTUMRXRAGRIN1GRIN2BKMT2A
SCHEMBL10361364 0.85 MAPT (0.42) NOTUMRXRAGRIN1GRIN2BALDH1A1
SCHEMBL10360682 0.83 MAPT (0.43) NOTUMPOLBALDH1A1MAPTNPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4931083-A Plant growth regulating triazoles ELI LILLY AND COMPANY (US) 1990-06-05 US claimed
US-4931083-A Plant growth regulating triazoles ELI LILLY AND COMPANY (US) 1990-06-05 US disclosed
EP-0227284-A1 Plant Growth regulating triazoles ELI LILLY AND COMPANY (US) 1987-07-01 EP disclosed