SCHEMBL25756614

SCHEMBL25756614

O=C(OCCCc1ccccc1)C1CCCCN1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 16/20 0.50
LMNA P02545 1/20 0.49
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL22861529 1.00 FKBP1A (0.50) FKBP1ALMNAALDH1A1SMN1; SMN2
SCHEMBL7222149 0.96 FKBP1A (0.53) FKBP1ALMNA
SCHEMBL22861524 0.96 LMNA (0.50) FKBP1ALMNAALDH1A1SMN1; SMN2
SCHEMBL21241510 0.96 LMNA (0.50) FKBP1ALMNAALDH1A1SMN1; SMN2
SCHEMBL22861521 0.88 HTR2C (0.47) FKBP1AALDH1A1SMN1; SMN2
SCHEMBL21241284 0.88 HTR2C (0.47) FKBP1AALDH1A1SMN1; SMN2
SCHEMBL630942 0.83 TSHR (0.61) FKBP1AALDH1A1
SCHEMBL6727374 0.83 TSHR (0.61) FKBP1AALDH1A1
SCHEMBL28676037 0.82 TSHR (0.60) FKBP1AALDH1A1
Hydrochloric Acid SCHEMBL630943 0.82 TSHR (0.64) FKBP1AALDH1A1

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
EP-3746440-B1 PIPECOLIC ESTERS FOR INHIBITION OF THE PROTEASOME UNIV TEXAS (US) 2023-07-05 EP disclosed