SCHEMBL21603875

SCHEMBL21603875

CCCC(=O)Nc1sc2c(c1C(=O)NCC(C)C)CC(NC(=O)OC(C)(C)C)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 3/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 1/20 0.35
MAPK10 P53779 1/20 0.35
KMT2A Q03164 1/20 0.35
AIP O00170 1/20 0.35
SGTA O43765 1/20 0.35
TOMM70 O94826 1/20 0.35
STIP1 P31948 1/20 0.35
PPP5C P53041 1/20 0.35
DNAJC7 Q99615 1/20 0.35

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
SCHEMBL21603872 0.88 CNR2 (0.45) ALDH1A1KDM4EMAPTPOLBCNR1
SCHEMBL21603967 0.79 CNR2 (0.50) ALDH1A1KDM4EMAPTPOLBCNR1
SCHEMBL21604012 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTPOLBCNR1
SCHEMBL21603785 0.76 CYP1A2 (0.45) ALDH1A1KDM4EMAPTPOLBCNR1
SCHEMBL21604244 0.76 CNR2 (0.45) ALDH1A1KDM4EMAPTPOLBCNR1
SCHEMBL28609323 0.76 CNR2 (0.46) ALDH1A1KDM4EMAPTCNR1CNR2
SCHEMBL21603941 0.76 CNR2 (0.46) ALDH1A1KDM4EMAPTCNR1CNR2
SCHEMBL21603928 0.76 CNR2 (0.46) ALDH1A1KDM4EMAPTCNR1CNR2
SCHEMBL21597867 0.75 CNR2 (0.46) ALDH1A1KDM4EMAPTPOLBCNR1
SCHEMBL21597580 0.75 CNR2 (0.46) ALDH1A1KDM4EMAPTPOLBCNR1

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
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO disclosed