SCHEMBL31299554

SCHEMBL31299554

NCCN(CCN)CCN1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SIGMAR1 Q99720 2/20 0.44
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.38
ALOX15 P16050 1/20 0.37
HPGD P15428 1/20 0.35
DUSP3 P51452 1/20 0.35
GAA P10253 1/20 0.35
USP2 O75604 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
ACHE P22303 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL1034010 0.89 KDM4E (0.50) KEAP1SMN1; SMN2SIGMAR1KDM4EALDH1A1
SCHEMBL29041543 0.80 ALOX15 (0.62) KEAP1SMN1; SMN2SIGMAR1ALDH1A1ALOX15
SCHEMBL2733378 0.80 KEAP1 (0.53) KEAP1SMN1; SMN2SIGMAR1KDM4EALDH1A1
SCHEMBL27220456 0.79 KDM4E (0.57) KEAP1SMN1; SMN2KDM4EALDH1A1GLA
SCHEMBL8518326 0.79 SMN1; SMN2 (0.42) KEAP1SMN1; SMN2SIGMAR1KDM4EALDH1A1
SCHEMBL13187933 0.79 KDM4E (0.57) KEAP1SMN1; SMN2KDM4EALDH1A1GLA
SCHEMBL8406067 0.78 SIGMAR1 (0.54) SIGMAR1ALDH1A1ALOX15POLBLMNA
Hydrochloric Acid SCHEMBL3672217 0.78 ALOX15 (0.59) KEAP1SMN1; SMN2SIGMAR1ALDH1A1ALOX15
SCHEMBL9444 0.77
SCHEMBL10401216 0.77 ALDH1A1 (0.43) KEAP1SMN1; SMN2SIGMAR1KDM4EALDH1A1

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-2025027177-A1 POLYISOBUTENYL SUCCINIMIDE-BASED COMPOUNDS REPSOL, S.A. (ES) 2025-02-06 WO disclosed