SCHEMBL9175723

SCHEMBL9175723

O=C(O)C1CC=CCC1C(=O)CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.61
▸ TAAR1 Q96RJ0 3/20 0.61
▸ GAA P10253 2/20 0.61
▸ ALDH1A1 P00352 4/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ TSHR P16473 2/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ KEAP1 Q14145 1/20 0.48
▸ FFAR1 O14842 1/20 0.46
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GRM2 Q14416 1/20 0.43
▸ GRM3 Q14832 1/20 0.43

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
SCHEMBL9175728 1.00 POLB (0.61) POLBTAAR1GAAALDH1A1KMT2A
SCHEMBL27109144 0.73 KEAP1 (0.57) POLBALDH1A1KMT2ASMN1; SMN2TDP1
SCHEMBL21952420 0.71 ALDH1A1 (0.47) POLBALDH1A1TSHRHSD17B10KDM4E
Benzoic Acid SCHEMBL6049039 0.71 TDP1 (0.62) POLBTAAR1GAAALDH1A1KMT2A
SCHEMBL31737192 0.71 POLB (0.54) POLBTAAR1GAAALDH1A1KMT2A
SCHEMBL10739512 0.71 POLB (0.54) POLBTAAR1GAAALDH1A1KMT2A
SCHEMBL174303 0.71 POLB (0.54) POLBTAAR1GAAALDH1A1KMT2A
SCHEMBL14433706 0.71 POLB (0.54) POLBTAAR1GAAALDH1A1KMT2A
SCHEMBL10739509 0.71 POLB (0.54) POLBTAAR1GAAALDH1A1KMT2A
SCHEMBL14036245 0.70 ALDH1A1 (0.56) POLBALDH1A1SMN1; SMN2TDP1KEAP1

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-0411333-B1 Antiherpes tetrapeptide derivatives having a substituted aspartic acid side chain BIO MEGA BOEHRINGER INGELHEIM (CA) 1995-05-31 — — EP disclosed
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