SCHEMBL2922856

SCHEMBL2922856

CCONc1ccc(C(=O)O)c(CC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ USP2 O75604 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GABRP O00591 2/20 0.38
▸ GABRD O14764 2/20 0.38
▸ GABRA1 P14867 2/20 0.38
▸ GABRB1 P18505 2/20 0.38
▸ GABRG2 P18507 2/20 0.38
▸ GABRB3 P28472 2/20 0.38
▸ GABRA5 P31644 2/20 0.38
▸ GABRA3 P34903 2/20 0.38
▸ GABRA2 P47869 2/20 0.38
▸ GABRB2 P47870 2/20 0.38
▸ GABRA4 P48169 2/20 0.38
▸ GABRE P78334 2/20 0.38
▸ GABRA6 Q16445 2/20 0.38
▸ GABRG1 Q8N1C3 2/20 0.38

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
SCHEMBL5810770 0.84 CYP1A2 (0.41) ALDH1A1MEN1KMT2AAKR1C3AKR1C2
SCHEMBL10728965 0.84 PTPN11 (0.43) TSHRMEN1KMT2A
SCHEMBL8856987 0.80 GABRP (0.42) ALDH1A1TSHRMEN1KMT2AUSP2
SCHEMBL1839262 0.78 MAPT (0.54) ALDH1A1TSHRMEN1KMT2AUSP2
SCHEMBL11523096 0.78 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL8785708 0.77 MAPT (0.53) ALDH1A1TSHRMEN1KMT2AUSP2
SCHEMBL8888227 0.77 POLB (0.55) MEN1KMT2AHPGDSMN1; SMN2NPC1
SCHEMBL524506 0.76 CLCN2 (0.38) ALDH1A1TSHRMEN1KMT2AUSP2
SCHEMBL9141154 0.75 MAPT (0.51) ALDH1A1MEN1KMT2AHPGDAKR1C3
SCHEMBL2913416 0.74 ALDH1A1 (0.48) ALDH1A1TSHRMEN1KMT2ASMN1; 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-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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