SCHEMBL26529809

SCHEMBL26529809

NC1(C/C=C/CC(=O)O)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX15 P16050 1/20 0.46
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
CACNA2D1 P54289 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 1/20 0.35
PAM P19021 1/20 0.33

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
SCHEMBL26529637 0.98 ALDH1A1 (0.48) ALDH1A1CYP2D6ALOX15USP2LMNA
SCHEMBL26529631 0.94 ALDH1A1 (0.48) ALDH1A1CYP2D6ALOX15USP2LMNA
SCHEMBL26529565 0.90 ALDH1A1 (0.52) ALDH1A1CYP2D6ALOX15PAM
SCHEMBL29257624 0.77 ALDH1A1 (0.46) ALDH1A1CYP2D6ALOX15USP2LMNA
SCHEMBL29257622 0.74 ALDH1A1 (0.48) ALDH1A1CYP2D6ALOX15USP2LMNA
SCHEMBL3049969 0.72 TSHR (0.43) LMNATSHRBLM
SCHEMBL3049967 0.72 TSHR (0.43) LMNATSHRBLM
SCHEMBL20198601 0.70 TSHR (0.56) ALDH1A1USP2LMNACYP1A2TSHR
SCHEMBL20104809 0.70 TSHR (0.56) ALDH1A1USP2LMNACYP1A2TSHR
SCHEMBL498155 0.70 TSHR (0.56) ALDH1A1USP2LMNACYP1A2TSHR

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-2023181030-A1 PESTICIDAL AND HERBICIDAL COMPOUNDS AND METHODS OF USE THEREOF AG PLENUS LTD (IL) 2023-09-28 WO disclosed