SCHEMBL18569448

SCHEMBL18569448

C=CC1CC(OCC)CN1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.50
F2 P00734 3/20 0.47
CTSG P08311 2/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
HTR2C P28335 1/20 0.42
HCRTR2 O43614 1/20 0.42
AGTR2 P50052 1/20 0.41

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
SCHEMBL16402963 1.00 ELANE (0.50) ELANEF2CTSGNPC1RAB9A
SCHEMBL16403228 0.91 HCRTR2 (0.45) ELANENPC1RAB9ASMN1; SMN2TSHR
SCHEMBL18569885 0.91 HCRTR2 (0.45) ELANENPC1RAB9ASMN1; SMN2TSHR
SCHEMBL30054873 0.91 HCRTR2 (0.45) ELANENPC1RAB9ASMN1; SMN2TSHR
SCHEMBL3402980 0.86 ALDH1A1 (0.44) ELANEF2CTSGHCRTR2
SCHEMBL115758 0.86 ALDH1A1 (0.44) ELANEF2CTSGHCRTR2
SCHEMBL20446568 0.82 AGTR2 (0.47) NPC1RAB9ASMN1; SMN2TSHRL3MBTL1
SCHEMBL17755338 0.82 AGTR2 (0.47) NPC1RAB9ASMN1; SMN2TSHRL3MBTL1
SCHEMBL5765292 0.82 AGTR2 (0.47) NPC1RAB9ASMN1; SMN2TSHRL3MBTL1
SCHEMBL6941068 0.82 AGTR2 (0.47) NPC1RAB9ASMN1; SMN2TSHRL3MBTL1

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-3004084-B1 SUBSTITUTED BENZOXAZOLES Bayer Pharma AG (DE) 2017-03-01 EP disclosed