SCHEMBL29049092

SCHEMBL29049092

O=C(O)CC(CO)OC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FFAR1 O14842 1/20 0.36
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
EPHX1 P07099 1/20 0.31
LMNA P02545 2/20 0.30
SLC22A6 Q4U2R8 1/20 0.30

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
SCHEMBL1118476 0.81 EPHX1 (0.40) ALDH1A1L3MBTL1FFAR1CYP2C19EPHX1
SCHEMBL27424035 0.80 ALDH1A1 (0.39) ALDH1A1L3MBTL1FFAR1LMNA
SCHEMBL6861479 0.79 CA1 (0.33) CYP2C19EPHX1
SCHEMBL20643683 0.79 CA1 (0.33) CYP2C19EPHX1
SCHEMBL29598895 0.74 FFAR1 (0.40) ALDH1A1L3MBTL1FFAR1CYP2C19SMN1; SMN2
SCHEMBL27964556 0.74 ALDH1A1 (0.36) ALDH1A1EPHX1
SCHEMBL538848 0.72
SCHEMBL27964561 0.72 SHBG (0.37) ALDH1A1EPHX1
SCHEMBL27669779 0.71 NPSR1 (0.32) EPHX1LMNA
SCHEMBL28404278 0.68

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
CN-116583501-A Compounds and compositions for treating conditions associated with LPA receptor activity 罗特斯生物公司 2023-08-11 CN disclosed