SCHEMBL23730282

SCHEMBL23730282

O=C1CC2(CC(=O)c3ccccc32)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.41
GOPC Q9HD26 1/20 0.41
PGR P06401 3/20 0.39
ALDH1A1 P00352 2/20 0.39
S100A4 P26447 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
GSK3B P49841 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CDC25B P30305 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 3/20 0.37
BCHE P06276 2/20 0.37
CES1 P23141 2/20 0.37
ITGA4 P13612 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
ESR1 P03372 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL18179342 0.82 PGR (0.39) PGRMEN1KMT2ASMN1; SMN2POLB
SCHEMBL17427493 0.81 CFTR (0.36) CFTRGOPCPGRALDH1A1S100A4
SCHEMBL30897426 0.81 CFTR (0.36) CFTRGOPCPGRALDH1A1S100A4
SCHEMBL23729942 0.81 TSHR (0.41) ALDH1A1BCHECES1MAPTTP53
SCHEMBL16868731 0.81 S100A4 (0.43) CFTRGOPCPGRALDH1A1S100A4
SCHEMBL14462993 0.79 S100A4 (0.42) CFTRGOPCALDH1A1S100A4HSP90AA1
SCHEMBL31671044 0.79 PGR (0.42) CFTRGOPCPGRALDH1A1S100A4
SCHEMBL11844513 0.78 CRBN (0.40) ALDH1A1ITGA4
SCHEMBL25201447 0.77 CFTR (0.38) CFTRGOPCALDH1A1S100A4HSP90AA1
SCHEMBL29581434 0.77 PGR (0.51) CFTRGOPCPGRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118993865-A Chemical resolution method of spiroindenedione compound 四川大学 2024-11-22 CN disclosed
US-20240110007-A1 PREPARATION OF POLY(CROWN ETHER)S SAUDI ARABIAN OIL COMPANY (SA) 2024-04-04 US disclosed
WO-2021152481-A1 HYBRID POLYETHER ETHER KETONE POLYMERS KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2021-08-05 WO disclosed