SCHEMBL23399788

SCHEMBL23399788

Cc1c(-c2ccccc2)[nH]n(CC(C)C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALKBH3 Q96Q83 1/20 0.40
▸ KDM4E B2RXH2 5/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ GAA P10253 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ DAO P14920 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
SCHEMBL23403685 0.88 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL23402929 0.85 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL23400258 0.84 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL23399666 0.84 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL23399658 0.82 KDM4E (0.44) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL23398591 0.82 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL23403217 0.82 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL23403203 0.82 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL23398795 0.81 ALKBH3 (0.43) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL23398812 0.81 ALKBH3 (0.43) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 — — EP disclosed
Send feedback