SCHEMBL8614904

SCHEMBL8614904

CC1(COCOc2ccc(S(=O)(=O)c3ccccc3)cc2)CO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR6 P50406 3/20 0.38
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA5A P35218 1/20 0.35

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
SCHEMBL31349 0.82 CA12 (0.52) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL7720231 0.78 PKM (0.51) PKMALDH1A1GAALMNAHTT
SCHEMBL6295731 0.78 KMT2A (0.44) PKMALDH1A1GAASMN1; SMN2MAPT
SCHEMBL1144646 0.78 CA12 (0.45) LMNAHTR6CA12CA1CA2
SCHEMBL9405446 0.75 CA12 (0.51) SMN1; SMN2MEN1KMT2ACA12CA1
SCHEMBL8615501 0.74 HTR6 (0.47) PKMALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL6301749 0.74 MAOB (0.48) ALDH1A1HTTSMN1; SMN2MAPTCA12
SCHEMBL5707066 0.73 CA12 (0.43) LMNASMN1; SMN2MAPTHTR6CA12
SCHEMBL8611881 0.73 PKM (0.49) PKMALDH1A1GAAHTTSMN1; SMN2
SCHEMBL667989 0.72 KCNA3 (0.41) PKMALDH1A1LMNA

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
EP-0664224-B1 Heat-sensitive recording paper NEW OJI PAPER CO LTD (JP) 1998-04-22 EP disclosed
US-5543382-A GLASSINE PAPER, LEUCO DYE AND DEVELOPER NEW OJI PAPER CO., LTD. (JP) 1996-08-06 US disclosed
EP-0664224-A2 Heat-sensitive recording paper NEW OJI PAPER CO., LTD. (JP) 1995-07-26 EP disclosed