SCHEMBL940276

SCHEMBL940276

CCOC(=O)C(C(=O)OCC)(c1ccc(N=C=S)cc1)c1ccc(N=C=S)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
P2RY6 Q15077 2/20 0.40
PIN1 Q13526 1/20 0.39
TSHR P16473 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
GRM6 O15303 1/20 0.37
ABCB11 O95342 1/20 0.37
HTR2A P28223 1/20 0.37
PMP22 Q01453 1/20 0.37
PPARA Q07869 1/20 0.37
MAPK1 P28482 1/20 0.37
GABRA1 P14867 2/20 0.37
GABRB2 P47870 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MIF P14174 1/20 0.35
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34

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
SCHEMBL941746 0.86 TSHR (0.41) PIN1TSHRCYP1A2CYP3A4ABCB11
SCHEMBL1457515 0.76 MAPT (0.56) CYP1A2CYP3A4CA1CA2NOS3
SCHEMBL3765043 0.74 CYP4Z1 (0.57) HSD17B10P2RY6TSHRKMT2AMAPT
SCHEMBL940605 0.74 LMNA (0.55) HSD17B10PIN1TSHRCYP1A2CYP3A4
SCHEMBL5639395 0.73 PIN1 (0.56) PIN1TSHRKMT2ANPC1MAPT
SCHEMBL13664665 0.71 CA12 (0.61) CYP3A4MAPK1CA1CA2NPC1
Phenylisothiocyanate SCHEMBL28818304 0.70 MIF (0.52) HSD17B10PIN1TSHRCYP1A2CYP3A4
SCHEMBL6546539 0.70 HSD17B10 (0.38) HSD17B10P2RY6CYP1A2CYP3A4GRM6
SCHEMBL943436 0.68 CYP3A4 (0.36) PIN1TSHRCYP1A2CYP3A4ABCB11
SCHEMBL15946446 0.68 NPSR1 (0.51) HSD17B10KMT2AMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8840559-B2 Organic piezoelectric material, ultrasonic oscillator using the material, method for manufacturing the ultrasonic oscillator, ultrasonic probe, and ultrasonic medical diagnostic imaging device KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2014-09-23 US disclosed
US-20110021918-A1 ORGANIC PIEZOELECTRIC MATERIAL FILM, METHOD FOR PRODUCTION OF ORGANIC PIEZOELECTRIC MATERIAL FILM, METHOD FOR PRODUCTION OF ULTRASONIC OSCILLATOR, AND ULTRASONIC MEDICAL IMAGING INSTRUMENT KONICA MINOLTA MEDICAL & GRAPHIC INC. (JP) 2011-01-27 US disclosed
US-20110021916-A1 ORGANIC PIEZOELECTRIC MATERIAL, ULTRASONIC OSCILLATOR USING THE MATERIAL, METHOD FOR MANUFACTURING THE ULTRASONIC OSCILLATOR, ULTRASONIC PROBE, AND ULTRASONIC MEDICAL DIAGNOSTIC IMAGING DEVICE KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-01-27 US disclosed
US-20110021917-A1 ORGANIC PIEZOELECTRIC MATERIAL FILM, METHOD FOR PRODUCTION OF THE SAME, METHOD FOR PRODUCTION OF ULTRASONIC OSCILLATOR USING THE SAME, AND ULTRASONIC MEDICAL IMAGING INSTRUMENT KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-01-27 US disclosed
US-20110004102-A1 ORGANIC PIEZOELECTRIC MATERIAL, ULTRASONIC OSCILLATOR USING THE SAME, METHOD FOR PRODUCING THE ULTRASONIC OSCILLATOR, ULTRASONIC PROBE AND ULTRASONIC MEDICAL DIAGNOSTIC IMAGING DEVICE KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-01-06 US disclosed