SCHEMBL2913416

SCHEMBL2913416

CCONc1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ TSHR P16473 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ PLA2G4B P0C869 1/20 0.46
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.42
▸ IKBKB O14920 1/20 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
SCHEMBL10263993 0.85 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL27868355 0.83 PARP10 (0.55) ALDH1A1TSHRKMT2AMEN1CA1
SCHEMBL410017 0.81 HPGD (0.61) ALDH1A1TSHRTP53KMT2AMEN1
SCHEMBL11432136 0.80 RAB9A (0.43) ALDH1A1TSHRTP53KMT2AMEN1
SCHEMBL14326162 0.79 CA1 (0.56) ALDH1A1TSHRTP53KMT2AMEN1
SCHEMBL5810770 0.78 CYP1A2 (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL10442226 0.77 KCNH3 (0.37) ALDH1A1TSHRTP53KMT2AMEN1
SCHEMBL11795587 0.75 ALDH1A1 (0.42) ALDH1A1TSHRTP53KMT2AMEN1
Terephthalic Acid SCHEMBL2264605 0.74 TSHR (0.60) ALDH1A1TSHRTP53PLA2G4BKMT2A
SCHEMBL16010557 0.74 TSHR (0.48) ALDH1A1TSHRTP53KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2800741-B1 DUALISTIC MOLECULES HAVING UV RADIATION FILTRATING ABILITY AT WIDE SPECTRUM AND POTENT DAMPING ACTIVITY OF THE REACTIVITY OF FREE RADICALS (RADICALS SCAVENGING) Università degli Studi di Ferrara (IT) 2017-03-15 — — EP claimed
EP-1722859-B1 A BASE COMPOSITION FOR PREPARING MULTI-FUNCTIONAL FORMULATIONS FOR CARE AND PROTECTION OF THE SKIN AND HAIR NATURA COSMETICOS SA (BR) 2010-09-08 — — EP claimed
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