SCHEMBL8984909

SCHEMBL8984909

CCCC(C)CC(C)CC(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.38
HSD17B10 Q99714 2/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
BIRC2 Q13490 1/20 0.33
SLC1A1 P43005 1/20 0.33
TET2 Q6N021 1/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL3686281 0.90 TSHR (0.42) TSHRHSD17B10HDAC7HDAC8HDAC6
SCHEMBL26914655 0.87 TSHR (0.46) TSHRHSD17B10MGAMGAASI
SCHEMBL31508747 0.85 ACE2 (0.47) HSD17B10BIRC2ZDHHC7MEN1HPGD
SCHEMBL28292524 0.83 TSHR (0.39) TSHRHSD17B10CA1CA2MGAM
SCHEMBL4382517 0.79 TSHR (0.31) TSHR
SCHEMBL4390757 0.79 TSHR (0.31) TSHR
SCHEMBL12268172 0.79 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL8636238 0.79 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL265822 0.78 TSHR (0.50) TSHRHSD17B10MGAMGAASI
SCHEMBL10682889 0.78 CA2 (0.47) TSHRHSD17B10CA1CA2BIRC2

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-0716070-A1 Process for the preparation of aldehydes BASF AKTIENGESELLSCHAFT (DE) 1996-06-12 EP disclosed