SCHEMBL28409899

SCHEMBL28409899

CC1(c2ccc(Br)c3c2OC(CO)C3)OCCCO1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 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
SCHEMBL28407552 0.85
SCHEMBL15765124 0.71 RXFP1 (0.43) RXFP1KDM4EALDH1A1HPGD
SCHEMBL28412403 0.67 RXFP1 (0.40) RXFP1KDM4EALDH1A1HPGD
SCHEMBL4226441 0.65 RXFP1 (0.43) RXFP1KDM4EALDH1A1HPGD
SCHEMBL28416923 0.62 RAB9A (0.39) RXFP1KDM4EALDH1A1HPGD
SCHEMBL4229876 0.62 KDM4E (0.41) RXFP1KDM4EALDH1A1HPGD
SCHEMBL28409533 0.61 RXFP1 (0.38) RXFP1KDM4EALDH1A1HPGD
SCHEMBL31634103 0.60 RXFP1 (0.30) RXFP1
SCHEMBL19733991 0.60 MAOA (0.34) RXFP1KDM4EALDH1A1HPGD
SCHEMBL17974430 0.60 MAOA (0.36) RXFP1KDM4EALDH1A1HPGD

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-111116577-A Fused tetracyclic compounds and application thereof in medicines 广东东阳光药业有限公司 2020-05-08 CN disclosed