SCHEMBL9749736

SCHEMBL9749736

C=CCC(N)c1ccccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
CYP2C19 P33261 1/20 0.42
ACHE P22303 3/20 0.37
PDCD1LG2 Q9BQ51 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
POLB P06746 2/20 0.35
ALOX15 P16050 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
CA12 O43570 1/20 0.33
GMNN O75496 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EGFR P00533 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
FYN P06241 1/20 0.33
CA3 P07451 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
SCHEMBL13458364 0.82 TSHR (0.44) TSHRGABRA1GABRB2CYP2C19ACHE
SCHEMBL265240 0.81 TSHR (0.47) TSHRGABRA1GABRB2POLBALOX15
SCHEMBL11499036 0.80 TSHR (0.45) TSHRGABRA1GABRB2CYP2C19ACHE
SCHEMBL5934663 0.77 TSHR (0.50) TSHRGABRA1GABRB2POLBALOX15
SCHEMBL31444491 0.77 NISCH (0.44) TSHRCYP2C19PDCD1LG2CD274KDM4E
SCHEMBL11437594 0.77 TSHR (0.62) TSHRGABRA1GABRB2CYP2C19ACHE
SCHEMBL8995483 0.77 ESR1 (0.41) TSHRCYP2C19ACHEPDCD1LG2CD274
SCHEMBL19332982 0.77 CYP2C19 (0.38) CYP2C19PDCD1LG2CD274ALDH1A1CYP3A4
SCHEMBL9617748 0.77 TSHR (0.42) TSHRGABRA1GABRB2CYP2C19ACHE
SCHEMBL2328835 0.77 CYP2C19 (0.38) CYP2C19PDCD1LG2CD274ALOX15SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61160763-A None JP disclosed
JP-61172153-A None JP disclosed
JP-4282644-A None JP disclosed
JP-H04282644-A IMAGE FORMING METHOD RICOH CO LTD 1992-10-07 JP disclosed
JP-S61172153-A TONER FOR DEVELOPING ELECTROSTATIC CHARGE IMAGE CANON INC 1986-08-02 JP disclosed
JP-S61160763-A ELECTROSTATIC CHARGE APPLYING MEMBER FOR DEVELOPING ELECTROSTATIC CHARGE IMAGE CANON INC 1986-07-21 JP disclosed