SCHEMBL21886542

SCHEMBL21886542

CC1(C)OCc2cc(C(=O)CCBr)ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 13/20 0.42
WNT3A P56704 11/20 0.42
HPGD P15428 1/20 0.39
SLC6A4 P31645 1/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 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
SCHEMBL30563103 0.89 GNG2 (0.40) CTNNB1WNT3AHPGD
SCHEMBL829418 0.89 GNG2 (0.40) CTNNB1WNT3AHPGD
SCHEMBL14357334 0.85 ATM (0.50) CTNNB1WNT3AHPGDTSHR
SCHEMBL27636279 0.84 ATM (0.36) CTNNB1WNT3AHPGDSLC6A4PTGS1
SCHEMBL960318 0.82 MAPT (0.46) HPGDTSHR
SCHEMBL14898029 0.80 RXRA (0.50) TSHR
SCHEMBL925100 0.80 KMT2A (0.36) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL27617374 0.79 KMT2A (0.38) HPGDTSHR
SCHEMBL14898177 0.78 CA12 (0.45) HPGDTSHR
SCHEMBL22763935 0.78 RAB9A (0.44) HPGDTSHR

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
EP-3201171-B1 METHOD OF PREPARING INTERMEDIATE OF SALMETEROL AMPHASTAR NANJING PHARMACEUTICALS INC (CN) 2020-04-15 EP disclosed