SCHEMBL19900643

SCHEMBL19900643

CCCCCCCCCCCCc1cc(CBr)cc(CCCCCCCCCCCC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.57
CYP3A4 P08684 2/20 0.54
GPR84 Q9NQS5 2/20 0.52
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SHBG P04278 1/20 0.47
TP53 P04637 1/20 0.47
HSPD1 P10809 1/20 0.47
ADRB3 P13945 1/20 0.47
HTR2C P28335 1/20 0.47
HSPE1 P61604 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL28158495 1.00 PTGS2 (0.57) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL31628722 1.00 PTGS2 (0.57) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL16835705 1.00 PTGS2 (0.57) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL28295239 0.92 KCNH2 (0.50) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL9122379 0.88 PTGS2 (0.70) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL8560359 0.88 PTGS2 (0.70) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL7628223 0.88 PTGS2 (0.70) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL10474252 0.87 PTGS2 (0.63) PTGS2CYP3A4GPR84FUT7
SCHEMBL9420945 0.85 PTGS2 (0.67) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL2871788 0.85 PTGS2 (0.68) PTGS2CYP3A4GPR84ESR1ADRA2A

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-20220332870-A1 Narrow Band Gap Conjugated Polymers Employing Cross-Conjugated Donors Useful In Electronic Devices THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2022-10-20 US disclosed
US-11312819-B2 Narrow band gap conjugated polymers employing cross-conjugated donors useful in electronic devices THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2022-04-26 US disclosed
EP-3504259-A2 NARROW BAND GAP CONJUGATED POLYMERS EMPLOYING CROSS-CONJUGATED DONORS USEFUL IN ELECTRONIC DEVICES Azoulay, Jason D. (US) 2019-07-03 EP disclosed
US-20190194385-A1 Narrow Band Gap Conjugated Polymers Employing Cross-Conjugated Donors Useful in Electronic Devices THE UNIVERSITY OF SOUTHERN MISSISSIPPI 2019-06-27 US disclosed
WO-2018039347-A2 NARROW BAND GAP CONJUGATED POLYMERS EMPLOYING CROSS-CONJUGATED DONORS USEFUL IN ELECTRONIC DEVICES AZOULAY JASON D (US) 2018-03-01 WO disclosed