SCHEMBL6563540

SCHEMBL6563540

Cc1cc(C(=O)C(C)(C)CC(=O)O)c(C)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR27 Q9NS67 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
HPGD P15428 2/20 0.33
HIF1A Q16665 2/20 0.33
TSHR P16473 2/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRND Q07001 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6565466 0.83 HPGD (0.38) GPR27MEN1KMT2AHPGDTSHR
SCHEMBL6563239 0.82 HSD11B1 (0.39) MEN1KMT2AHPGDTSHRALDH1A1
SCHEMBL6565337 0.79 CHRNA1 (0.38) GPR27HPGDHIF1ATSHRCHRNA1
Hydrochloric Acid SCHEMBL7670687 0.75 HSD17B10 (0.42) GPR27MEN1KMT2AHPGDTSHR
SCHEMBL26601824 0.74 NOTUM (0.37) GPR27MEN1KMT2AHPGDTSHR
SCHEMBL2796102 0.73 HSD17B10 (0.44) GPR27HPGDTSHRHSD17B10ALDH1A1
SCHEMBL6565291 0.71 KMT2A (0.57) GPR27MEN1KMT2APTGDR2HPGD
SCHEMBL6565431 0.71 CHRNA1 (0.36) GPR27KMT2AHPGDTSHRCHRNA1
SCHEMBL17244914 0.69 RAB9A (0.46) GPR27PTGDR2HPGDTSHRCHRNA1
SCHEMBL31455587 0.68 LMNA (0.38) GPR27MEN1KMT2AHPGDCHRNA1

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-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed