SCHEMBL20404192

SCHEMBL20404192

CC(C)(C)C(C)(O)C1CCCC(C(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.45
ANPEP P15144 1/20 0.35
TSHR P16473 2/20 0.34
SLC6A1 P30531 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SLC6A11 P48066 1/20 0.33
EPHX2 P34913 1/20 0.33
SLC6A13 Q9NSD5 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD11B1 P28845 1/20 0.32
GRM2 Q14416 1/20 0.32
GABRR1 P24046 1/20 0.31
ACE P12821 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL18628568 0.85 BTK (0.47) BTKANPEPTSHRSLC6A1LMNA
SCHEMBL14436576 0.82 BTK (0.49) BTKANPEPTSHRSLC6A1LMNA
SCHEMBL20047617 0.82 BTK (0.49) BTKANPEPTSHRSLC6A1LMNA
SCHEMBL863425 0.82 BTK (0.49) BTKANPEPTSHRSLC6A1LMNA
SCHEMBL17895800 0.75 BTK (0.50) BTKANPEPTSHRSLC6A1LMNA
SCHEMBL25250387 0.75 BTK (0.41) BTKANPEPTSHRSLC6A1LMNA
SCHEMBL849602 0.75 BTK (0.41) BTKANPEPTSHRSLC6A1LMNA
SCHEMBL26620727 0.75 BTK (0.41) BTKANPEPTSHRSLC6A1LMNA
SCHEMBL20643397 0.74 BTK (0.42) BTKSMN1; SMN2EPHX2ALDH1A1
SCHEMBL4020947 0.74 BTK (0.45) BTKANPEPTSHRSLC6A1LMNA

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-3427738-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2019-01-16 EP disclosed
EP-3141252-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2018-07-25 EP disclosed