SCHEMBL8613693

SCHEMBL8613693

C=CCN(C)c1cccc(O)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
TSHR P16473 1/20 0.55
CYP3A4 P08684 2/20 0.50
OPRM1 P35372 4/20 0.49
OPRD1 P41143 4/20 0.49
OPRK1 P41145 4/20 0.49
HTR7 P34969 8/20 0.43
ACHE P22303 1/20 0.42
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 2/20 0.40
ESR1 P03372 1/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL8611414 0.87 DHFR (0.39) ALDH1A1TSHROPRM1OPRD1OPRK1
SCHEMBL27740033 0.82 ALDH1A1 (0.55) ALDH1A1TSHRCYP3A4HTR7HSD17B1
SCHEMBL5306209 0.81 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4OPRM1OPRD1
SCHEMBL5133173 0.81 PTGS1 (0.36) ALDH1A1TSHROPRM1OPRD1OPRK1
SCHEMBL7223872 0.79 PYCR1 (0.42) ALDH1A1HTR7LMNA
SCHEMBL20749451 0.79 HTR7 (0.41) HTR7ACHE
SCHEMBL21020669 0.79 TP53 (0.46) ALDH1A1TSHROPRM1OPRD1OPRK1
SCHEMBL31278688 0.78 ESR1 (0.38) OPRM1OPRD1OPRK1ESR1
SCHEMBL22166480 0.77 ALDH1A1 (0.63) ALDH1A1TSHRCYP3A4HTR7ACHE
SCHEMBL5742167 0.77 ALDH1A1 (0.68) ALDH1A1TSHRCYP3A4OPRM1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116655847-B Preparation method of temperature-sensitive macromolecular dye, mascara containing temperature-sensitive macromolecular dye and preparation method of mascara 浙江材华科技有限公司 2024-02-09 CN claimed
CN-116655847-A Preparation method of temperature-sensitive macromolecular dye, mascara containing temperature-sensitive macromolecular dye and preparation method of mascara 浙江材华科技有限公司 2023-08-29 CN claimed
CN-116655847-B Preparation method of temperature-sensitive macromolecular dye, mascara containing temperature-sensitive macromolecular dye and preparation method of mascara 浙江材华科技有限公司 2024-02-09 CN disclosed
CN-116655847-A Preparation method of temperature-sensitive macromolecular dye, mascara containing temperature-sensitive macromolecular dye and preparation method of mascara 浙江材华科技有限公司 2023-08-29 CN disclosed
WO-2009097144-A1 MOLECULAR PROBES FOR PET-IMAGING OF DOPAMINE NEUROTRANSMISSION AND NEUROENDOCRINE PROCESSES IN VIVO THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-08-06 WO disclosed
US-5714304-A AN ORGANOSILICON CROSSLINKED POLYMER IS THE REACTION PRODUCT OF ATLEAST ONE CYCLIC POLYSILOXANE HAVING ATLEAST TWO HYDROSILATION REACTIVE GROUPS, AN ORGANIC DYE WITH ELECTRON ACCEPTOR AND DONOR GROUPS WITH DOUBLE BOND, AND A POLYENE HERCULES INCORPORATED (US) 1998-02-03 US disclosed
US-5663308-A DYES CONTAINING ELECTRON DONOR/ACEPTOR GROUPS LINKED BY DELOCALIZED PI ELECTRON SYSTEM AND TWO OR MORE PENDANT GROUPS HERCULES INCORPORATED (US) 1997-09-02 US disclosed
US-5605726-A FILMS, SEMICONDUCTORS HERECULES INCORPORATED (US) 1997-02-25 US disclosed
US-5298588-A Organosilicon polymers, and dyes, exhibiting nonlinear optical response HERCULES INCORPORATED (US) 1994-03-29 US disclosed
US-5254655-A Made by hydrosilation of cyclic polysiloxanes and carbon-carbon bond-containing dye HERCULES INCORPORATED (US) 1993-10-19 US disclosed