SCHEMBL12467104

SCHEMBL12467104

CCCC(NCC)C(=O)C(=O)NCCc1ccc2c(c1)OCO2

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
ALDH1A1 P00352 1/20 0.48
LMNA P02545 2/20 0.47
FAAH O00519 3/20 0.46
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
MME P08473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CNR1 P21554 1/20 0.43

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
SCHEMBL14943230 0.90 HPGD (0.53) HPGDALDH1A1LMNAFAAHTAS1R3
SCHEMBL12401688 0.87 HPGD (0.50) HPGDALDH1A1LMNAFAAHTAS1R3
SCHEMBL179087 0.79 LMNA (0.60) ALDH1A1LMNAFAAHRAB9AKDM4E
SCHEMBL5191013 0.75 ALDH1A1 (0.60) HPGDALDH1A1LMNAPOLBHSD17B10
SCHEMBL11744707 0.74 HSD17B10 (0.70) HPGDALDH1A1LMNAFAAHPOLB
SCHEMBL31557713 0.74 TAS1R3 (0.61) HPGDALDH1A1TAS1R3TAS1R1TSHR
SCHEMBL2746737 0.73 POLB (0.53) HPGDALDH1A1LMNAFAAHPOLB
SCHEMBL30544976 0.73 ALDH1A1 (0.62) ALDH1A1LMNAFAAHRAB9AKDM4E
SCHEMBL2730357 0.73 ALDH1A1 (0.62) ALDH1A1LMNAFAAHRAB9AKDM4E
SCHEMBL29673912 0.73 ALDH1A1 (0.57) HPGDALDH1A1LMNAFAAHPOLB

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-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP disclosed