SCHEMBL31703464

SCHEMBL31703464

CNC(=O)C1OCC1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HPGD P15428 1/20 0.39
▸ KDM1A O60341 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ DEGS1 O15121 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KCNQ3 O43525 1/20 0.38
▸ KCNQ2 O43526 1/20 0.38

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
SCHEMBL31191672 0.84 HDAC4 (0.41) HDAC4ALDH1A1SMN1; SMN2NPSR1HPGD
SCHEMBL28951562 0.80 TSHR (0.45) HDAC4ALDH1A1SMN1; SMN2NPSR1HPGD
SCHEMBL25075419 0.80 TSHR (0.45) HDAC4ALDH1A1SMN1; SMN2NPSR1HPGD
SCHEMBL28951784 0.80 TSHR (0.45) HDAC4ALDH1A1SMN1; SMN2NPSR1HPGD
Formic Acid SCHEMBL31064289 0.79 HDAC4 (0.38) HDAC4ALDH1A1SMN1; SMN2NPSR1HPGD
Trifluoroacetic Acid SCHEMBL31703769 0.77 KDM1A (0.40) HDAC4ALDH1A1SMN1; SMN2NPSR1HPGD
SCHEMBL6339509 0.74 HDAC4 (0.71) HDAC4ALDH1A1SMN1; SMN2HPGDSIGMAR1
SCHEMBL16639029 0.74 HDAC4 (0.71) HDAC4ALDH1A1SMN1; SMN2HPGDSIGMAR1
SCHEMBL31703358 0.73 TSHR (0.63) ALDH1A1SMN1; SMN2TSHR
SCHEMBL31703459 0.70 HDAC4 (0.44) HDAC4ALDH1A1SMN1; SMN2NPSR1HPGD

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-2025215536-A1 MACROCYCLIC PANRAS INHIBITORS FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2025-10-16 — — WO disclosed
Send feedback