SCHEMBL27764686

SCHEMBL27764686

c1cc(C2CC2)c2cnn(C3CCCCO3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ATR Q13535 3/20 0.39
▸ CYP4F2 P78329 6/20 0.37
▸ CYP4A11 Q02928 6/20 0.37
▸ PDK2 Q15119 1/20 0.34
▸ PDK4 Q16654 1/20 0.34
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ MAP3K5 Q99683 1/20 0.34
▸ RET P07949 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TRPV1 Q8NER1 2/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ SCN10A Q9Y5Y9 1/20 0.32

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
SCHEMBL805877 0.85 RXRA (0.43) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL31642472 0.85 RXRA (0.43) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL31628652 0.83 RXRA (0.42) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL29416187 0.83 RXRA (0.42) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL1193030 0.83 RXRA (0.42) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL156398 0.83 RXRA (0.42) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL4572292 0.83 CYP4F2 (0.46) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL168052 0.83 DDB1 (0.51) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL1141884 0.83 RXRA (0.45) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL476884 0.83 RXRA (0.42) RXRARXRBRXRGALDH1A1LMNA

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
CN-101460477-A Novel indazole derivative having spiro ring structure in side chain UBE INDUSTRIES (JP) 2009-06-17 — — CN disclosed
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