SCHEMBL21169701

SCHEMBL21169701

Cc1cc(-c2ccc(C3CCC(S)CC3)cc2)ccc1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.39
MAPT P10636 2/20 0.38
HSP90AA1 P07900 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
S1PR1 P21453 3/20 0.37
S1PR5 Q9H228 2/20 0.37
OPRL1 P41146 2/20 0.36
LMNA P02545 1/20 0.35
XBP1 P17861 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
S1PR3 Q99500 1/20 0.34
GALR1 P47211 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
APP P05067 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
SCHEMBL18454988 0.83 NOTUM (0.46) NOTUMMAPTHSP90AA1GAAKMT2A
SCHEMBL19621353 0.80 NOTUM (0.44) NOTUMMAPTHSP90AA1GAAKMT2A
SCHEMBL27575326 0.78 KMO (0.43) MAPTKMT2ATDP1OPRL1LMNA
SCHEMBL26047235 0.74 NPC1 (0.41) NOTUMMAPTLMNASMN1; SMN2
SCHEMBL9399058 0.74 CYP2C9 (0.49) NOTUMMAPTKMT2AOPRL1LMNA
SCHEMBL458343 0.73 NOTUM (0.48) NOTUMSIGMAR1
SCHEMBL18411525 0.72 HSP90AA1 (0.44) NOTUMMAPTHSP90AA1GAAKMT2A
SCHEMBL22049055 0.72 NOTUM (0.44) NOTUMMAPTHSP90AA1GAAKMT2A
SCHEMBL16959637 0.72 NOTUM (0.41) NOTUMOPRL1
SCHEMBL59138 0.72 NOTUM (0.55) NOTUMMAPTHSP90AA1GAAKMT2A

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-2562233-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2019-07-17 EP disclosed