SCHEMBL6993443

SCHEMBL6993443

CCC(CC)CC(CC)CCc1ccccc1O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HRH3 Q9Y5N1 1/20 0.42
HSPA5 P11021 1/20 0.42
MPO P05164 4/20 0.41
TSHR P16473 2/20 0.40
SLC6A4 P31645 1/20 0.39
CYP2D6 P10635 1/20 0.38
HIF1A Q16665 1/20 0.38
MAPT P10636 1/20 0.38
AKR1B1 P15121 1/20 0.37
LMNA P02545 1/20 0.36
IDO1 P14902 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL2928609 0.90 HTR1A (0.44) HTR1ATAAR1HRH3HSPA5MPO
SCHEMBL28922778 0.88 HTR1A (0.42) HTR1ATAAR1HRH3HSPA5MPO
SCHEMBL28636115 0.81 HSPA5 (0.45) HTR1ATAAR1HSPA5TSHRSLC6A4
SCHEMBL4981775 0.80 TAAR1 (0.41) HTR1ATAAR1HRH3AKR1B1LMNA
SCHEMBL27644116 0.79 LMNA (0.39) HTR1ATAAR1MPOAKR1B1LMNA
SCHEMBL18349 0.79 HTR1A (0.46) HTR1ATAAR1HRH3HSPA5MPO
SCHEMBL14271047 0.78 HTR1A (0.49) HTR1ATAAR1HRH3HSPA5MPO
SCHEMBL28626643 0.78 HTR1A (0.49) HTR1ATAAR1HRH3HSPA5MPO
SCHEMBL11582743 0.78 HTR1A (0.49) HTR1ATAAR1HRH3HSPA5MPO
SCHEMBL9308109 0.78 HTR1A (0.49) HTR1ATAAR1HRH3HSPA5MPO

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
US-20040152837-A1 Homogeneously colored thermoplastic molding compositions BAYER AKTIENGESELLSCHAFT (DE) 2004-08-05 US disclosed