SCHEMBL22005789

SCHEMBL22005789

Cc1ccc2c(c1)CCCCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
POLB P06746 1/20 0.46
RAPGEF4 Q8WZA2 1/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
METAP1 P53582 1/20 0.39
STS P08842 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
SCHEMBL597333 0.97 DPP4 (0.49) DPP4NPC1RAB9APOLBRAPGEF4
SCHEMBL414198 0.92 NPC1 (0.52) DPP4NPC1RAB9APOLBRAPGEF4
Phosphonic Acid SCHEMBL11425732 0.85 NPC1 (0.47) DPP4NPC1RAB9APOLBALDH1A1
Acetic Acid SCHEMBL27990190 0.81 NPC1 (0.56) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL5905931 0.79 CYP11B1 (0.50) DPP4NPC1RAB9APOLBRAPGEF4
SCHEMBL17037968 0.79 METAP1 (0.44) DPP4NPC1RAB9APOLBALDH1A1
SCHEMBL15957848 0.78 PNMT (0.46) ADRA2AADRA2BADRA2C
SCHEMBL6905898 0.77 ALDH1A1 (0.47) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL10177007 0.76 METAP1 (0.46) DPP4NPC1RAB9APOLBALDH1A1
SCHEMBL10232037 0.76 HTR2C (0.57) ADRA2AADRA2BADRA2C

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-3095797-B1 ANTI DLL3 ANTIBODIES AND METHODS OF USE THEREOF ABBVIE STEMCENTRX LLC (US) 2020-05-20 EP disclosed