SCHEMBL9633773

SCHEMBL9633773

CC(CCC(=O)O)C1CCCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HTT P42858 3/20 0.46
XBP1 P17861 1/20 0.46
HAO1 Q9UJM8 1/20 0.43
FFAR1 O14842 1/20 0.42
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
BLM P54132 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A3 Q01959 1/20 0.41
DHODH Q02127 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL11073296 0.84 ECE1 (0.45) ALDH1A1HTTXBP1TSHRHPGD
SCHEMBL5549328 0.78 IDO1 (0.44) ALDH1A1HTTXBP1
Hydrogen Peroxide SCHEMBL9456544 0.78 IDO1 (0.46) ALDH1A1HTTXBP1TSHRRAB9A
SCHEMBL23174558 0.77 HTR2C (0.46) HTTFFAR1HTR2CSLC6A3CTSV
SCHEMBL5623941 0.76 HTR6 (0.51) HTT
SCHEMBL2995057 0.76 SIGMAR1 (0.46)
SCHEMBL8802816 0.75 TSHR (0.50) ALDH1A1HTTXBP1HAO1FFAR1
SCHEMBL2094512 0.74 IDO1 (0.44) ALDH1A1HTTXBP1TSHR
SCHEMBL3296406 0.74 IDO1 (0.49)
SCHEMBL3000155 0.74 IDO1 (0.49)

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-0166509-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-05-13 EP disclosed