SCHEMBL21168663

SCHEMBL21168663

CC(S)NCC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
EPHX1 P07099 3/20 0.33
EPHX2 P34913 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
CA9 Q16790 1/20 0.31
CTSK P43235 1/20 0.31
CYP2D6 P10635 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
SCHEMBL25588364 0.90
SCHEMBL105260 0.82 HTT (0.41) HTTADH1BADH1CADH1AADH4
SCHEMBL20622126 0.80 GNAI3 (0.41) SIGMAR1EPHX1EPHX2
SCHEMBL104714 0.80 ADH1B (0.44) HTTADH1BADH1CADH1AADH4
SCHEMBL22899465 0.80 ADH1B (0.44) HTTADH1BADH1CADH1AADH4
SCHEMBL14176594 0.80 ADH1B (0.44) HTTADH1BADH1CADH1AADH4
SCHEMBL104968 0.77
SCHEMBL23967621 0.74 HTT (0.41) HTTADH1BADH1CADH1AADH4
SCHEMBL21042970 0.74
SCHEMBL11456185 0.74 EPHX1 (0.41) HTTADH1BADH1CADH1AADH4

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
US-11014466-B2 Building energy optimization system with battery powered vehicle cost optimization JOHNSON CONTROLS TECHNOLOGY COMPANY (US) 2021-05-25 US disclosed
US-20190217739-A1 BUILDING ENERGY OPTIMIZATION SYSTEM WITH BATTERY POWERED VEHICLE COST OPTIMIZATION JOHNSON CONTROLS TECHNOLOGY COMPANY (US) 2019-07-18 US disclosed