SCHEMBL11544682

SCHEMBL11544682

CCOC(=O)N1CCC2(CC1)Cc1ccc(Cl)cc1O2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.58
▸ KDM4E B2RXH2 4/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ HDAC3 O15379 3/20 0.49
▸ HDAC4 P56524 3/20 0.49
▸ HDAC1 Q13547 3/20 0.49
▸ HDAC7 Q8WUI4 3/20 0.49
▸ HDAC2 Q92769 3/20 0.49
▸ HDAC10 Q969S8 3/20 0.49
▸ HDAC11 Q96DB2 3/20 0.49
▸ HDAC8 Q9BY41 3/20 0.49
▸ HDAC6 Q9UBN7 3/20 0.49
▸ HDAC9 Q9UKV0 3/20 0.49
▸ HDAC5 Q9UQL6 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ KLK7 P49862 1/20 0.49

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
SCHEMBL23110805 0.85 GPR119 (0.48) KMT2AMEN1
SCHEMBL863473 0.82 KMT2A (0.45) KMT2AKDM4EALDH1A1HDAC3HDAC4
SCHEMBL4221454 0.80 ALPG (0.51) KMT2AKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL23110701 0.79 KDM4E (0.42) KDM4EALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL31430374 0.78 DRD2 (0.44) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL3864362 0.76 GPR119 (0.53) KMT2AMEN1
SCHEMBL28549863 0.76 DRD2 (0.43) —
SCHEMBL20616624 0.74 KMT2A (0.73) KMT2AKDM4EALDH1A1HDAC3HDAC4
SCHEMBL23093804 0.74 CCR1 (0.38) KDM4EALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL20616667 0.73 TRPM8 (0.59) KMT2AKDM4EALDH1A1HDAC3HDAC4

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
US-4166119-A Analgesic and tranquilizing spiro[dihydrobenzofuran]piperidines and pyrrolidines AMERICAN HOECHST CORPORATION (US) 1979-08-28 — — US disclosed
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