SCHEMBL31426431

SCHEMBL31426431

c1ccc2c(c1)OC1(CCCCC1)O2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
KDM4E B2RXH2 5/20 0.59
MAPT P10636 2/20 0.59
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MITF O75030 1/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.36
ITGB2 P05107 1/20 0.36

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
SCHEMBL11005301 1.00 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL368479 1.00 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1749312 0.97 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL23554801 0.92 SMN1; SMN2 (0.50) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL29972822 0.87 SMN1; SMN2 (0.43) ALDH1A1KDM4EMAPTMEN1KMT2A
Acetic Acid SCHEMBL11814909 0.86 NPC1 (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL31217616 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL31217583 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL31217608 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL31217551 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTMEN1KMT2A

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-119451951-A Compounds for inhibition of KIF18A 沃拉斯查疗法公司 2025-02-14 CN disclosed