SCHEMBL29636773

SCHEMBL29636773

c1ccc(SSc2ccc3ccccc3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.60
HPGD P15428 3/20 0.60
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MGLL Q99685 1/20 0.60
CYP3A4 P08684 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
HIF1A Q16665 1/20 0.50
CYP2A6 P11509 6/20 0.42
CYP1A2 P05177 4/20 0.42
ALDH1A1 P00352 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
RELA Q04206 1/20 0.41
ALOX12 P18054 1/20 0.40
ANPEP P15144 1/20 0.40

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
SCHEMBL225296 0.92 HSD17B10 (0.56) HSD17B10HPGDMAPTSMN1; SMN2MGLL
SCHEMBL29791497 0.92 HSD17B10 (0.56) HSD17B10HPGDMAPTSMN1; SMN2MGLL
Anthracene SCHEMBL28066630 0.87 HSD17B10 (0.71) HSD17B10HPGDMAPTSMN1; SMN2MGLL
Naphthalene SCHEMBL27851979 0.87 HSD17B10 (0.80) HSD17B10HPGDMAPTSMN1; SMN2MGLL
SCHEMBL27309441 0.84 HSD17B10 (0.54) HSD17B10HPGDMAPTSMN1; SMN2MGLL
Phenol SCHEMBL28792132 0.84 TDP1 (0.61) HSD17B10HPGDMAPTSMN1; SMN2MGLL
SCHEMBL3281214 0.80 LMNA (0.52) HSD17B10HPGDMAPTSMN1; SMN2CYP3A4
SCHEMBL7759264 0.78 HPGD (1.00) HSD17B10HPGDMAPTSMN1; SMN2MGLL
SCHEMBL5148 0.78 HPGD (1.00) HSD17B10HPGDMAPTSMN1; SMN2MGLL
Benzene SCHEMBL27891544 0.78 HPGD (1.00) HSD17B10HPGDMAPTSMN1; SMN2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022092635-A1 POLYARYLENE SULFIDE RESIN AND PREPARATION METHOD THEREFOR 에이치디씨폴리올 주식회사 2022-05-05 WO disclosed