SCHEMBL18708593

SCHEMBL18708593

CCSc1cccc2c(SCC)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.36
HPGD P15428 3/20 0.35
AOC3 Q16853 1/20 0.34
MAPT P10636 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL1057367 0.86 IFNAR1 (0.47) MAPTALDH1A1LMNACYP1A2HSD17B10
SCHEMBL9793625 0.80 S100A4 (0.41) HPGDAOC3MAPTADORA3ADORA2A
SCHEMBL24329991 0.80 CYP1A2 (0.54) ELANEHPGDMAPTALDH1A1CYP1A2
SCHEMBL201555 0.79 S100A4 (0.38) HPGDAOC3MAPTADORA3ADORA2A
SCHEMBL20571789 0.78 KDM4E (0.47) ELANEMAPTADORA3ADORA2AADORA1
SCHEMBL1057913 0.78 IDO1 (0.52)
SCHEMBL201556 0.77 GABRA1 (0.48) HPGDADORA3ADORA2AADORA1ALDH1A1
SCHEMBL3781476 0.77 HPGD (0.33) HPGDAOC3ADORA3ADORA2AADORA1
SCHEMBL348041 0.77 PTGS2 (0.50) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL15119608 0.76 TYMS (0.43) ELANEMAPTLMNAALOX15MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9908967-B2 Polymeric semiconductors and related devices FLEXTERRA, INC. (US) 2018-03-06 US disclosed
US-9908967-B2 Polymeric semiconductors and related devices FLEXTERRA, INC. (US) 2018-03-06 US disclosed
US-20170096523-A1 Polymeric Semiconductors and Related Devices USINVEST LLC 2017-04-06 US disclosed
US-20170096523-A1 Polymeric Semiconductors and Related Devices USINVEST LLC 2017-04-06 US disclosed