SCHEMBL19007785

SCHEMBL19007785

CC(C)(C(=O)c1ccc(SCCO)cc1)N(CCO)CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 2/20 0.36
ALDH1A1 P00352 7/20 0.35
MAPK1 P28482 2/20 0.35
RAB9A P51151 2/20 0.33
HSP90AA1 P07900 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 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
SCHEMBL2398977 0.88 THRA (0.39) CA2CA12CA1CA7CA13
SCHEMBL10885564 0.88 RAB9A (0.43) THRATHRBALDH1A1MAPK1RAB9A
SCHEMBL19007790 0.84 ALDH1A1 (0.46) HPGDALDH1A1MAPK1RAB9ACYP1A2
SCHEMBL17921587 0.81 CA2 (0.45) CA2CA12CA1CA7CA13
SCHEMBL9679911 0.76 ALDH1A1 (0.54) CA2CA12CA1CA7CA13
SCHEMBL24085973 0.75 CA12 (0.31) CA2CA12CA1CA7CA13
SCHEMBL11110501 0.75 ALDH1A1 (0.46) HPGDALDH1A1RAB9AKDM4ECYP1A2
SCHEMBL10942485 0.75 HPGD (0.46) HPGDALDH1A1RAB9AMLYCDNPC1
SCHEMBL16312880 0.74 FFAR1 (0.45) CA2CA12THRATHRBALDH1A1
SCHEMBL10872171 0.73 HPGD (0.57) CA2CA12CA1CA7CA13

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-20190023918-A1 AQUEOUS DISPERSION, METHOD FOR MANUFACTURING THE SAME, AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2019-01-24 US disclosed
US-20170174916-A1 GEL PARTICLES, PHOTOSENSITIVE COMPOSITION, INK COMPOSITION, METHOD OF PRODUCING WATER DISPERSION OF GEL PARTICLES, AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2017-06-22 US disclosed
US-20170174916-A1 GEL PARTICLES, PHOTOSENSITIVE COMPOSITION, INK COMPOSITION, METHOD OF PRODUCING WATER DISPERSION OF GEL PARTICLES, AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2017-06-22 US disclosed