SCHEMBL20149089

SCHEMBL20149089

C=C[C@@](C)(c1ccc(F)cc1)[C@@H](C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 11/20 0.43
▸ NR1H3 Q13133 11/20 0.43
▸ MLYCD O95822 4/20 0.37
▸ HSD11B1 P28845 1/20 0.35
▸ RORC P51449 3/20 0.35
▸ NR1I2 O75469 2/20 0.35
▸ RORA P35398 1/20 0.35
▸ RORB Q92753 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL20149020 0.81 NR1H2 (0.45) NR1H2NR1H3MLYCDHSD11B1RORC
SCHEMBL8021367 0.73 NR1H2 (0.58) NR1H2NR1H3MLYCDRORCNR1I2
SCHEMBL13324724 0.69 NR1H2 (0.56) NR1H2NR1H3MLYCDLMNAHTT
SCHEMBL17086713 0.68 HSD11B1 (0.38) HSD11B1HTT
SCHEMBL8053971 0.68 HSD11B1 (0.38) HSD11B1HTT
SCHEMBL16847361 0.68 HSD11B1 (0.38) HSD11B1HTT
SCHEMBL18698639 0.67 NR1H2 (0.53) NR1H2NR1H3MLYCDLMNAHTT
SCHEMBL6337812 0.67 NR1H2 (0.53) NR1H2NR1H3MLYCDLMNAHTT
SCHEMBL31507656 0.65 HSD11B1 (0.49) NR1H2NR1H3HSD11B1RORCNR1I2
SCHEMBL18202055 0.65 PTPN5 (0.57) NR1H2NR1H3MLYCDRORC

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
WO-2018089406-A1 ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 — — WO disclosed
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