SCHEMBL24650997

SCHEMBL24650997

COc1cc2c(cc1OCC(=O)O)CC(N)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
ATM Q13315 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL24650996 0.88 L3MBTL1 (0.53) POLBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL24650389 0.87 HMGCR (0.50) KMT2AALDH1A1PTGDR2CA1CA2
SCHEMBL24650385 0.85 LMNA (0.51) KMT2AALDH1A1PTGDR2CA1CA2
SCHEMBL24650743 0.84 TSHR (0.44) ALDH1A1PTGDR2TSHRLMNA
SCHEMBL24650995 0.83 FYN (0.52) POLBSMN1; SMN2ALDH1A1PTGDR2KDM4E
SCHEMBL24650395 0.83 ALDH1A1 (0.51) POLBKMT2AALDH1A1KDM4ETSHR
Hydrochloric Acid SCHEMBL4780777 0.81 PKM (0.47) POLBPTGDR2CA1CA2ALOX15
SCHEMBL3041826 0.80 ADRA1A (0.56) ALDH1A1CA1CA2ALOX15
SCHEMBL24650378 0.79 CA1 (0.42) POLBSMN1; SMN2MEN1KMT2APTGDR2
SCHEMBL24650909 0.79 ADRA1A (0.64) POLBSMN1; SMN2MEN1KMT2AALDH1A1

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-2022238507-A1 THERAPEUTIC AMINOINDANE COMPOUNDS AND COMPOSITIONS AWAKN LS EUROPE HOLDINGS LIMITED (IE) 2022-11-17 WO disclosed