SCHEMBL6864368

SCHEMBL6864368

COc1ccc(C(=O)C(CC(=O)O)CN2CCCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
LMNA P02545 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MITF O75030 2/20 0.62
HIF1A Q16665 1/20 0.62
POLB P06746 4/20 0.52
MAPT P10636 3/20 0.52
HTT P42858 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SLC6A4 P31645 2/20 0.51
KDM4E B2RXH2 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
DRD3 P35462 2/20 0.48
CHRM2 P08172 1/20 0.48
ADRA2B P18089 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
HPGD P15428 1/20 0.47

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
SCHEMBL6862360 0.85 SLC6A4 (0.69) ALDH1A1LMNASMN1; SMN2MITFHIF1A
SCHEMBL6862148 0.84 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2MITFHIF1A
SCHEMBL7718161 0.82 ALDH1A1 (0.60) ALDH1A1LMNASMN1; SMN2MITFHIF1A
SCHEMBL10854806 0.81 DRD3 (0.72) ALDH1A1LMNASMN1; SMN2MITFHIF1A
SCHEMBL7719212 0.80 SLC6A4 (0.48) ALDH1A1LMNASMN1; SMN2MITFHIF1A
Hydrochloric Acid SCHEMBL10896084 0.80 ALDH1A1 (0.72) ALDH1A1LMNASMN1; SMN2MITFHIF1A
SCHEMBL7718666 0.80 SLC6A4 (0.49) ALDH1A1LMNASMN1; SMN2MITFHTT
SCHEMBL366128 0.79 ALDH1A1 (0.64) ALDH1A1LMNASMN1; SMN2MITFHIF1A
SCHEMBL10851628 0.79 SMN1; SMN2 (0.97) ALDH1A1LMNASMN1; SMN2MITFHIF1A
SCHEMBL7718155 0.79 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2MITFHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0999204-B1 NOVEL COMPOUND HAVING EFFECT OF PROMOTING NEURON DIFFERENTIATION NIPPON KAYAKU KK (JP) 2004-10-13 EP disclosed
US-6384063-B1 Compound having effect of promoting neuron differentiation NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2002-05-07 US disclosed
EP-0999204-A1 NOVEL COMPOUND HAVING EFFECT OF PROMOTING NEURON DIFFERENTIATION Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-10 EP disclosed