SCHEMBL608887

SCHEMBL608887

CC(=O)NSSc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
NAPRT Q6XQN6 1/20 0.48
MTNR1A P48039 4/20 0.46
MTNR1B P49286 4/20 0.46
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MGLL Q99685 1/20 0.44
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CYP3A4 P08684 1/20 0.41
ALOX5 P09917 1/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
APOBEC3A P31941 1/20 0.41

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
SCHEMBL10862913 0.80 SMN1; SMN2 (0.43) HSD17B10NAPRTMAPTHPGDSMN1; SMN2
SCHEMBL28296510 0.79 HSD17B10 (0.44) HSD17B10NAPRTMTNR1AMTNR1BMAPT
SCHEMBL10431593 0.78 MTNR1A (0.48) HSD17B10NAPRTMTNR1AMTNR1BMAPT
SCHEMBL10354348 0.78 HPGD (0.42) HSD17B10NAPRTMTNR1AMTNR1BMAPT
Hydrochloric Acid SCHEMBL28845768 0.75 MTNR1A (0.47) HSD17B10NAPRTMTNR1AMTNR1BMAPT
SCHEMBL6686836 0.75 HPGD (0.39) HSD17B10NAPRTMTNR1AMTNR1BMAPT
SCHEMBL21680117 0.72 EHMT2 (0.53) HSD17B10MAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL200594 0.71 HPGD (0.50) HSD17B10NAPRTMTNR1AMTNR1BMAPT
Acetophenone SCHEMBL28222172 0.70 HPGD (0.67) HSD17B10NAPRTMAPTHPGDSMN1; SMN2
SCHEMBL10920706 0.68 NAPRT (0.67) HSD17B10NAPRTMAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857446-B1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2018-03-07 EP disclosed
US-9790359-B2 Tread rubber composition and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-10-17 US disclosed
US-20150099823-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2015-04-09 US disclosed
EP-2857446-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2015-04-08 EP disclosed
US-8334339-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL CO., LTD. (JP) 2012-12-18 US disclosed
US-20120041134-A1 CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed