SCHEMBL14975100

SCHEMBL14975100

COc1cc(C)c(C)c(S)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 3/20 0.44
TUBB1 Q9H4B7 3/20 0.44
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
HPGD P15428 3/20 0.37
FFAR4 Q5NUL3 1/20 0.35
ESR1 P03372 2/20 0.34
ALOX5 P09917 2/20 0.34
PTGS2 P35354 2/20 0.34
ABL1 P00519 1/20 0.34
TTR P02766 1/20 0.34
CYP1A2 P05177 1/20 0.34
ABCB1 P08183 1/20 0.34
BCR P11274 1/20 0.34
CYP19A1 P11511 1/20 0.34
NQO2 P16083 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34

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
SCHEMBL2633660 0.82 ALDH1A1 (0.59) ALDH1A1CYP3A4TUBB1CYP1A1CYP1B1
SCHEMBL1069353 0.77 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP1A1CYP1B1HPGD
SCHEMBL30550473 0.73 ALDH1A1 (0.48) ALDH1A1CYP3A4TUBB1CYP1A1CYP1B1
SCHEMBL12141429 0.73 ALDH1A1 (0.48) ALDH1A1CYP3A4TUBB1CYP1A1CYP1B1
SCHEMBL9847949 0.71 ALDH1A1 (0.46) ALDH1A1CYP3A4TUBB1CYP1A1CYP1B1
SCHEMBL2911817 0.71 CA12 (0.46) ALDH1A1TUBB1CYP1A2KDM4EGAA
SCHEMBL3341004 0.71 ALDH1A1 (0.46) ALDH1A1CYP3A4TUBB1CYP1A1CYP1B1
SCHEMBL672015 0.71 CA12 (0.46) ALDH1A1CYP3A4TUBB1CYP1A1CYP1B1
SCHEMBL17722958 0.71 ACHE (0.36) CYP3A4TUBB1CYP19A1NQO2TDP1
SCHEMBL9848001 0.71 TAAR1 (0.47) ALDH1A1CYP3A4TUBB1CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2604168-B1 MEDICAL IMAGING DEVICE FOR SIMULTANEOUSLY DETECTING MULTIPLE TARGETS SNU R&DB FOUNDATION (KR) 2019-10-09 EP disclosed
US-9833145-B2 Method for simultaneously detecting fluorescence and raman signals for multiple fluorescence and raman signal targets, and medical imaging device for simultaneously detecting multiple targets using the method SNU R&DB FOUNDATION (KR) 2017-12-05 US disclosed
US-20170112380-A1 METHOD FOR SIMULTANEOUSLY DETECTING FLUORESCENCE AND RAMAN SIGNALS FOR MULTIPLE FLUORESCENCE AND RAMAN SIGNAL TARGETS, AND MEDICAL IMAGING DEVICE FOR SIMULTANEOUSLY DETECTING MULTIPLE TARGETS USING THE METHOD SNU R&DB FOUNDATION (KR) 2017-04-27 US disclosed
EP-2604168-A2 METHOD FOR SIMULTANEOUSLY DETECTING FLUORESCENCE AND RAMAN SIGNALS FOR MULTIPLE FLUORESCENCE AND RAMAN SIGNAL TARGETS, AND MEDICAL IMAGING DEVICE FOR SIMULTANEOUSLY DETECTING MULTIPLE TARGETS USING THE METHOD SNU R&DB Foundation (KR) 2013-06-19 EP disclosed
US-20130137944-A1 METHOD FOR SIMULTANEOUSLY DETECTING FLUORESCENCE AND RAMAN SIGNALS FOR MULTIPLE FLUORESCENCE AND RAMAN SIGNAL TARGETS, AND MEDICAL IMAGING DEVICE FOR SIMULTANEOUSLY DETECTING MULTIPLE TARGETS USING THE METHOD SNU R&DB FOUNDATION (KR) 2013-05-30 US disclosed