SCHEMBL9322136

SCHEMBL9322136

c1cc(OCCCCOCC2CO2)ccc1OCCCCOCC1CO1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.69
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 6/20 0.56
TDP1 Q9NUW8 2/20 0.56
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
TP53 P04637 3/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
HIF1A Q16665 2/20 0.50
PKM P14618 2/20 0.50
CYP1A2 P05177 1/20 0.50
PPARG P37231 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
CYP3A4 P08684 1/20 0.47
GLA P06280 1/20 0.41
KCNA3 P22001 1/20 0.40
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL9325190 0.90 TDP1 (0.55) TSHRSMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL14081347 0.90 TSHR (0.56) TSHRSMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL10331086 0.88 SMN1; SMN2 (0.56) TSHRSMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL14588428 0.87 TSHR (0.53) TSHRSMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL11682636 0.87 TDP1 (0.68) TSHRSMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL21638946 0.86 TDP1 (0.66) TSHRSMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL22092652 0.86 TDP1 (0.66) TSHRSMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL22092171 0.86 TDP1 (0.66) TSHRSMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL22106551 0.86 TSHR (0.70) TSHRSMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL12199994 0.86 HRH3 (0.54) TSHRMEN1KMT2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0478263-B1 Heat-sensitive recording material KANZAKI PAPER MFG CO LTD (JP) 1994-02-16 EP disclosed
EP-0478263-A1 Heat-sensitive recording material KANZAKI PAPER MANUFACTURING CO., LTD (JP) 1992-04-01 EP disclosed