SCHEMBL23403283

SCHEMBL23403283

Cc1ccccc1-c1cc(O)n(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.49
DCTPP1 Q9H773 1/20 0.43
NT5E P21589 1/20 0.43
KDM4A O75164 1/20 0.43
PTGS2 P35354 1/20 0.43
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 5/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 4/20 0.42
HPGD P15428 3/20 0.42
NFKB1 P19838 3/20 0.42
NFKB2 Q00653 3/20 0.42
RELA Q04206 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALOX15 P16050 2/20 0.42
USP2 O75604 2/20 0.42

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
SCHEMBL23398458 0.90 DCTPP1 (0.46) FABP3DCTPP1TSHRLMNARAB9A
SCHEMBL23398597 0.88 RPA1 (0.46) FABP3TSHRLMNARAB9AMAPT
SCHEMBL23402698 0.86 MEN1 (0.44) FABP3TSHRRAB9AMAPTSMN1; SMN2
SCHEMBL23399722 0.85 ALDH1A1 (0.46) FABP3PTGS2TSHRLMNARAB9A
SCHEMBL17290437 0.80 FABP3 (0.49) FABP3DCTPP1LMNARAB9AMAPT
SCHEMBL17290570 0.80 MAPT (0.53) FABP3KDM4ALMNAMAPTNPC1
SCHEMBL17295136 0.80 FABP3 (0.49) FABP3DCTPP1LMNARAB9AMAPT
SCHEMBL23403457 0.79 CYP1A2 (0.44) PTGS2TSHRLMNARAB9AMAPT
SCHEMBL29479310 0.77 FABP3 (0.53) FABP3PTGS2TSHRLMNARAB9A
SCHEMBL16111755 0.77 LMNA (0.53) FABP3TSHRLMNAMAPTSMN1; SMN2

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