SCHEMBL31035360

SCHEMBL31035360

Cc1cc(Br)c2oc(C3CC3)c(C)c(=O)c2c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
MAOB P27338 4/20 0.33
CSNK2A2 P19784 2/20 0.32
CSNK2B P67870 2/20 0.32
CSNK2A1 P68400 2/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
MAOA P21397 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL25451380 0.88 ESR1 (0.33) ESR1ESR2
SCHEMBL25185329 0.84 MAOB (0.37) ESR1ESR2MAOBKMT2A
SCHEMBL30373775 0.84 MAOB (0.37) ESR1ESR2MAOBKMT2A
SCHEMBL31035685 0.81 PIK3CA (0.36) SIGMAR1KMT2A
SCHEMBL31035222 0.79 KDM4E (0.34) ALDH1A1MAPTSIGMAR1KMT2A
SCHEMBL31035499 0.78 PIK3CA (0.38) SIGMAR1KMT2A
SCHEMBL30889677 0.78 PIK3CA (0.38) SIGMAR1KMT2A
SCHEMBL31035336 0.74 ESR1 (0.40) ESR1ESR2MAOBCSNK2A2CSNK2B
SCHEMBL30889641 0.73 ALPG (0.46) CSNK2A2CSNK2BCSNK2A1ALDH1A1MAPT
SCHEMBL31035594 0.73 ESR2 (0.39) ESR1ESR2MAOBCSNK2A2CSNK2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680612-A1 CHEMICAL COMPOUNDS AN2 Therapeutics, Inc. (US) 2026-01-21 EP disclosed
WO-2024192309-A1 CHEMICAL COMPOUNDS REACTIVE BIOSCIENCES, INC. (US) 2024-09-19 WO disclosed