SCHEMBL9202166

SCHEMBL9202166

CCC(C)c1ccc2[c]occ2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
ABCB11 O95342 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C9 P11712 2/20 0.31
TSHR P16473 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL5535205 0.82 LMNA (0.39) ALDH1A1GAAHPGDALOX15HSD17B10
SCHEMBL9167387 0.73 ALDH1A1 (0.53) ALDH1A1GAAHPGDUSP2PKM
SCHEMBL16684715 0.71 UGT2B7 (0.59) ALDH1A1GAAHPGDUSP2PKM
SCHEMBL5401290 0.71 UGT2B7 (0.59) ALDH1A1GAAHPGDUSP2PKM
SCHEMBL3725681 0.70 ALDH1A1 (0.50) ALDH1A1GAAHPGDUSP2PKM
SCHEMBL3727201 0.70 ALDH1A1 (0.50) ALDH1A1GAAHPGDUSP2PKM
SCHEMBL2491242 0.69 UGT2B7 (0.52) ALDH1A1GAAHPGDUSP2PKM
SCHEMBL5546366 0.68 LMNA (0.39) ALDH1A1GAAHPGDALOX15HSD17B10
SCHEMBL20309118 0.68 ALDH1A1 (0.53) ALDH1A1ALOX15HSD17B10NPC1RAB9A
SCHEMBL29473917 0.68 ALDH1A1 (0.53) ALDH1A1ALOX15HSD17B10NPC1RAB9A

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-0463969-B1 New compounds of 4-aminobutyric acid, process for their preparation and pharmaceutical preparations containing them ADIR (FR) 1995-02-08 EP disclosed
EP-0463969-A1 New compounds of 4-aminobutyric acid, process for their preparation and pharmaceutical preparations containing them ADIR ET COMPAGNIE (FR) 1992-01-02 EP disclosed