SCHEMBL31580968

SCHEMBL31580968

O=C(O)C1(c2ccccc2F)CCCC1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 8/20 0.67
AKR1C1 Q04828 1/20 0.60
ELOVL1 Q9BW60 1/20 0.45
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
P2RX7 Q99572 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42

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
SCHEMBL3184587 1.00 HDAC4 (0.67) HDAC4AKR1C1ELOVL1MAPTTHRB
SCHEMBL2867660 0.98 HDAC4 (0.65) HDAC4AKR1C1ELOVL1MAPTTHRB
SCHEMBL29567033 0.98 HDAC4 (0.65) HDAC4AKR1C1ELOVL1MAPTTHRB
SCHEMBL5637311 0.96 HDAC4 (0.62) HDAC4AKR1C1ELOVL1MAPTTHRB
SCHEMBL30501854 0.96 HDAC4 (0.62) HDAC4AKR1C1ELOVL1MAPTTHRB
SCHEMBL31125559 0.94 HDAC4 (0.59) HDAC4AKR1C1ELOVL1
SCHEMBL301133 0.94 HDAC4 (0.59) HDAC4AKR1C1ELOVL1
SCHEMBL1627778 0.86 HDAC4 (0.51) HDAC4AKR1C1ELOVL1MAPTALDH1A1
SCHEMBL31382198 0.86 HDAC4 (0.51) HDAC4AKR1C1ELOVL1
SCHEMBL5766858 0.86 HDAC4 (0.51) HDAC4AKR1C1ELOVL1MAPTTHRB

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-2025104079-A1 SALICYLIC ACID AND PICOLINIC ACID DERIVATIVES AS INHIBITORS OF ENERGY COUPLING FACTOR (ECF) TRANSPORTERS FOR THE TREATMENT OF BACTERIAL INFECTIONS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2025-05-22 WO disclosed