SCHEMBL31750142

SCHEMBL31750142

CCOC(=O)Cc1c(Cl)ccc2c1cnn2C1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.44
▸ RXRB P28702 1/20 0.44
▸ RXRG P48443 1/20 0.44
▸ CYP4F2 P78329 3/20 0.38
▸ CYP4A11 Q02928 3/20 0.38
▸ P2RY12 Q9H244 1/20 0.37
▸ KDM4E B2RXH2 6/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ SLC6A3 Q01959 4/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ PDE4B Q07343 1/20 0.34

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
SCHEMBL31750482 0.84 RXRA (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31750777 0.82 RXRA (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31750490 0.81 RXRA (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31751088 0.80 RXRA (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31750483 0.79 RXRA (0.33) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31750477 0.79 KDM4E (0.36) RXRARXRBRXRGP2RY12KDM4E
SCHEMBL30758953 0.77 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31750324 0.76 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL21195976 0.76 RXRA (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30724136 0.76 ALOX5AP (0.39) RXRARXRBRXRGCYP4F2CYP4A11

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-2025262250-A1 GUANFACINE DERIVATIVES AND THEIR USES NEGIO THERAPEUTICS (BE) 2025-12-26 — — WO disclosed
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