SCHEMBL28762178

SCHEMBL28762178

C1=Cc2cc3c(cc2[C]1Cc1ccccc1)CCCC3

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP11 Q9NR21 1/20 0.36
CDC25B P30305 1/20 0.35
CALM1 P0DP23 1/20 0.34
NQO1 P15559 2/20 0.34
HTR2B P41595 1/20 0.34
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
IDH1 O75874 1/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
HTR2C P28335 1/20 0.31
G6PC1 P35575 1/20 0.31
POLB P06746 1/20 0.31
LTA4H P09960 1/20 0.31
LIPG Q9Y5X9 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
SCHEMBL22982711 0.97 NPC1 (0.35) PARP11CDC25BCALM1NQO1HTR2B
SCHEMBL28804530 0.95 NPC1 (0.35) PARP11CDC25BCALM1NQO1HTR2B
SCHEMBL22982485 0.86 MAOA (0.35) CDC25BTSHRNPC1RAB9AMAOA
SCHEMBL23273322 0.83 MAOA (0.38) NPC1RAB9AMAOAMAOBG6PC1
SCHEMBL28804535 0.81 MAOA (0.37) NPC1RAB9AMAOAMAOBG6PC1
SCHEMBL23273340 0.80 LMNA (0.36) CALM1NPC1RAB9APOLB
SCHEMBL28804563 0.79 LMNA (0.36) CALM1NPC1RAB9A
SCHEMBL22982567 0.78
SCHEMBL28804573 0.77
SCHEMBL22982497 0.76 CYP11B1 (0.41) CALM1TSHRIDH1LTA4H

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
CN-114845980-A Dimer-selective metallocene catalyst, non-aromatic hydrocarbon soluble activator and method for preparing poly alpha-olefin oligomer using the same 埃克森美孚化学专利公司 2022-08-02 CN disclosed
CN-114502521-A Process for producing low viscosity polyalphaolefins using non-aromatic hydrocarbon soluble activators 埃克森美孚化学专利公司 2022-05-13 CN disclosed