SCHEMBL1248271

SCHEMBL1248271

CC(O)/C=C/c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
SMPD2 O60906 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
F2 P00734 1/20 0.48
CHAT P28329 4/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
RXRA P19793 1/20 0.46
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL1248272 1.00 MTNR1A (0.50) MTNR1AMTNR1BSMPD2PTGS1PTGS2
SCHEMBL1248273 1.00 MTNR1A (0.50) MTNR1AMTNR1BSMPD2PTGS1PTGS2
SCHEMBL6709427 0.81 ALDH1A1 (0.50) MTNR1AMTNR1BSMPD2PTGS1PTGS2
SCHEMBL10706694 0.77 CHAT (0.62) MTNR1AMTNR1BPTGS1PTGS2LMNA
SCHEMBL10706687 0.77 CHAT (0.62) MTNR1AMTNR1BPTGS1PTGS2LMNA
SCHEMBL10706700 0.77 CHAT (0.62) MTNR1AMTNR1BPTGS1PTGS2LMNA
SCHEMBL11325317 0.77 SMPD2 (0.56) MTNR1AMTNR1BSMPD2PTGS1PTGS2
SCHEMBL11325323 0.77 SMPD2 (0.56) MTNR1AMTNR1BSMPD2PTGS1PTGS2
SCHEMBL11325321 0.77 SMPD2 (0.56) MTNR1AMTNR1BSMPD2PTGS1PTGS2
SCHEMBL28458521 0.76 SMPD2 (0.51) MTNR1AMTNR1BSMPD2PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9039882-B2 Metal material with a bismuth film attached and method for producing same, surface treatment liquid used in said method, and cationic electrodeposition coated metal material and method for producing same NIHON PARKERIZING CO., LTD. (JP) 2015-05-26 US disclosed
US-20110073484-A1 METAL MATERIAL WITH A BISMUTH FILM ATTACHED AND METHOD FOR PRODUCING SAME, SURFACE TREATMENT LIQUID USED IN SAID METHOD, AND CATIONIC ELECTRODEPOSITION COATED METAL MATERIAL AND METHOD FOR PRODUCING SAME NIHON PARKERIZING CO., LTD. (JP) 2011-03-31 US disclosed
EP-2280096-A1 METAL MATERIAL WITH A BISMUTH FILM ATTACHED AND METHOD FOR PRODUCING SAME, SURFACE TREATMENT LIQUID USED IN SAID METHOD, AND CATIONIC ELECTRODEPOSITION COATED METAL MATERIAL AND METHOD FOR PRODUCING SAME NIHON PARKERIZING CO., LTD. (JP) 2011-02-02 EP disclosed