SCHEMBL23399722

SCHEMBL23399722

Cc1ccccc1-c1cc(O)n(-c2ccccc2C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPT P10636 5/20 0.46
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
HPGD P15428 4/20 0.41
ALOX15 P16050 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 4/20 0.41
MEN1 O00255 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C19 P33261 3/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
ATM Q13315 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL23403283 0.85 FABP3 (0.49) ALDH1A1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL23399514 0.84 ALDH1A1 (0.56) ALDH1A1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL23398458 0.83 DCTPP1 (0.46) ALDH1A1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL23402698 0.81 MEN1 (0.44) ALDH1A1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL23398597 0.80 RPA1 (0.46) ALDH1A1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL4918738 0.80 ALDH1A1 (0.46) ALDH1A1MAPTRAB9AALOX15KMT2A
SCHEMBL23401551 0.79 ALDH1A1 (0.51) ALDH1A1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL23403457 0.78 CYP1A2 (0.44) ALDH1A1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL16111400 0.78 ALDH1A1 (0.51) ALDH1A1MAPTRAB9AKMT2AMEN1
SCHEMBL16111455 0.76 ALDH1A1 (0.55) ALDH1A1MAPTRAB9ASMN1; SMN2HPGD

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