SCHEMBL20054095

SCHEMBL20054095

CCCCCCC(CCCCC)NC(CCCCC)CCCCCC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.47
LMNA P02545 1/20 0.46
DNM1 Q05193 2/20 0.46
EPHX1 P07099 1/20 0.46
OPRM1 P35372 1/20 0.43
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
GPR84 Q9NQS5 3/20 0.41
FDPS P14324 3/20 0.41
SPHK1 Q9NYA1 1/20 0.41
FFAR1 O14842 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL9468275 1.00 TSHR (0.47) TSHRTHRBLMNADNM1EPHX1
SCHEMBL10565724 1.00 TSHR (0.47) TSHRTHRBLMNADNM1EPHX1
SCHEMBL8010945 1.00 TSHR (0.47) TSHRTHRBLMNADNM1EPHX1
SCHEMBL11701212 1.00 TSHR (0.47) TSHRTHRBLMNADNM1EPHX1
SCHEMBL11681882 1.00 TSHR (0.47) TSHRTHRBLMNADNM1EPHX1
SCHEMBL5692575 1.00 TSHR (0.47) TSHRTHRBLMNADNM1EPHX1
SCHEMBL12479965 1.00 TSHR (0.47) TSHRTHRBLMNADNM1EPHX1
SCHEMBL12479364 1.00 TSHR (0.47) TSHRTHRBLMNADNM1EPHX1
SCHEMBL13851797 1.00 TSHR (0.47) TSHRTHRBLMNADNM1EPHX1
SCHEMBL11701657 1.00 TSHR (0.47) TSHRTHRBLMNADNM1EPHX1

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-2595993-B1 TRICYCLIC PROTEASOME ACTIVITY ENHANCING COMPOUNDS HARVARD COLLEGE (US) 2018-04-18 EP disclosed