SCHEMBL10625103

SCHEMBL10625103

C=CC[N+](CC=C)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.37
▸ CALM1 P0DP23 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TSHR P16473 5/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ GAA P10253 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL6183030 0.77 CALM1 (0.50) MAOBCALM1SMN1; SMN2TSHRALDH1A1
SCHEMBL10425005 0.74 ALDH1A1 (0.41) LMNATSHRALDH1A1GAAHPGD
Allylbenzene SCHEMBL9807340 0.70 MAOB (0.57) MAOBCALM1SMN1; SMN2NPSR1TSHR
SCHEMBL3899677 0.69 TP53 (0.50) MAOBCALM1TSHRALDH1A1IDO1
SCHEMBL11035306 0.68 CYP1A2 (0.36) MAOBSMN1; SMN2L3MBTL1TSHRGAA
Allylbenzene SCHEMBL21274 0.67 — —
SCHEMBL9512532 0.67 TSHR (0.48) MAOBCALM1SMN1; SMN2TSHRALDH1A1
Allylbenzene SCHEMBL10325179 0.67 MAOB (0.60) MAOBCALM1SMN1; SMN2NPSR1TSHR
Allylbenzene SCHEMBL2478260 0.67 MAOB (0.60) MAOBCALM1SMN1; SMN2NPSR1TSHR
SCHEMBL5729478 0.67 ALDH1A1 (0.36) LMNAHTTTSHRALDH1A1HPGD

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-4786571-A ELECTROGRAPHY MINOLTA CAMERA KABUSHIKI KAISHA (JP) 1988-11-22 — — US claimed
US-4786571-A ELECTROGRAPHY MINOLTA CAMERA KABUSHIKI KAISHA (JP) 1988-11-22 — — US disclosed
US-4040840-A MEROCYANINE DYE HAVING ISOXAZOLE NUCLEUS AND PYRAZOLINE-5-ONE NUCLEUSN FUJI PHOTO FILM CO., LTD. (JA) 1977-08-09 — — US disclosed
Send feedback