SCHEMBL22271052

SCHEMBL22271052

C=C(Cc1ccc(C(F)(F)CC)cc1)Nc1ccc(-c2nccnc2OCc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPIA P62937 1/20 0.39
▸ TRPV1 Q8NER1 9/20 0.36
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ PTGDR2 Q9Y5Y4 2/20 0.34
▸ RORC P51449 2/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ PPIF P30405 1/20 0.33

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
SCHEMBL19205812 0.89 NPC1 (0.45) PPIARORC
SCHEMBL22270870 0.82 TRPV1 (0.42) TRPV1
SCHEMBL22271055 0.77 TRPV1 (0.39) TRPV1
SCHEMBL19205666 0.76 WNT3A (0.43) PPIARORC
SCHEMBL18448279 0.76 WNT3A (0.54) RORC
SCHEMBL19205607 0.75 RORC (0.51) RORC
SCHEMBL19205813 0.75 RORC (0.51) RORC
SCHEMBL19205608 0.75 RORC (0.51) RORC
SCHEMBL28638482 0.74 KCNJ5 (0.49) TRPV1RORC
SCHEMBL19205625 0.74 KCNJ5 (0.46) TRPV1RORC

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
EP-3686187-A1 PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2020-07-29 — — EP disclosed
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