SCHEMBL3405501

SCHEMBL3405501

CCC(C(=O)O)N(c1ccccc1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
OPRM1 P35372 4/20 0.38
SIGMAR1 Q99720 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
PAX8 Q06710 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRL1 P41146 1/20 0.38
SLC22A1 O15245 1/20 0.36
NR1I2 O75469 1/20 0.36
ABCB1 P08183 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL19953687 0.88 TRPM8 (0.39) ALDH1A1GLATSHRHTTATM
SCHEMBL15922647 0.77 KDM4E (0.41) ALDH1A1KDM4EMEN1NPC1MITF
SCHEMBL430659 0.74 ALDH1A1 (0.46) ALDH1A1GLATSHRHTTMEN1
SCHEMBL430660 0.74 ALDH1A1 (0.46) ALDH1A1GLATSHRHTTMEN1
SCHEMBL26327651 0.73 LMNA (0.44) ALDH1A1GLATSHRHTTOPRM1
SCHEMBL28958014 0.73 ALDH1A1 (0.48) ALDH1A1GLATSHRHTTATM
SCHEMBL9324872 0.73 TSHR (0.48) ALDH1A1GLATSHRMEN1NPC1
SCHEMBL28571251 0.73 ALDH1A1 (0.44) ALDH1A1GLATSHRHTTMEN1
SCHEMBL28958055 0.73 ALDH1A1 (0.44) ALDH1A1GLATSHRHTTMEN1
SCHEMBL6550464 0.73 ALDH1A1 (0.44) ALDH1A1GLATSHRHTTMEN1

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-2177502-A1 Compounds and their use Oryzon Genomics, S.A. (ES) 2010-04-21 EP claimed
EP-2177502-A1 Compounds and their use Oryzon Genomics, S.A. (ES) 2010-04-21 EP disclosed