SCHEMBL6862925

SCHEMBL6862925

O=C(O)CCC(CN1CCNCC1)C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
LMNA P02545 3/20 0.58
HTT P42858 3/20 0.58
RAB9A P51151 3/20 0.58
ATM Q13315 3/20 0.58
MAPT P10636 3/20 0.58
HIF1A Q16665 1/20 0.58
OPRD1 P41143 2/20 0.46
SIGMAR1 Q99720 2/20 0.44
SLC6A4 P31645 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MITF O75030 1/20 0.44
GFER P55789 1/20 0.44
PAX8 Q06710 1/20 0.44
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL7718745 0.86 ALDH1A1 (0.60) ALDH1A1LMNAHTTRAB9AATM
SCHEMBL6821357 0.77 CPA3 (0.56) ALDH1A1LMNAHTTRAB9AATM
SCHEMBL29148416 0.77 ALDH1A1 (0.60) ALDH1A1LMNAHTTRAB9AATM
Hydrochloric Acid SCHEMBL29148467 0.76 ALDH1A1 (0.61) ALDH1A1LMNAHTTRAB9AATM
Hydrochloric Acid SCHEMBL11517845 0.76 MAPT (0.56) ALDH1A1LMNAHTTRAB9AATM
Hydrochloric Acid SCHEMBL2761665 0.76 MAPT (0.56) ALDH1A1LMNAHTTRAB9AATM
SCHEMBL7718169 0.73 ALDH1A1 (0.48) ALDH1A1LMNAHTTRAB9AATM
SCHEMBL7718161 0.73 ALDH1A1 (0.60) ALDH1A1LMNAHTTRAB9AATM
SCHEMBL6862148 0.71 ALDH1A1 (0.58) ALDH1A1LMNAHTTRAB9AATM
SCHEMBL7714554 0.70 NPC1 (0.50) ALDH1A1LMNAHTTRAB9AATM

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