SCHEMBL17945156

SCHEMBL17945156

c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc6c(c5)oc5ccc7oc8ccccc8c7c56)ccc4c3)c3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.44
▸ PGR P06401 1/20 0.41
▸ PLA2G2A P14555 4/20 0.40
▸ PLA2G4A P47712 4/20 0.40
▸ CASP3 P42574 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ ESR1 P03372 3/20 0.38
▸ ESR2 Q92731 3/20 0.38
▸ AHR P35869 2/20 0.38
▸ PLA2G10 O15496 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ ABCG2 Q9UNQ0 2/20 0.38
▸ MMP12 P39900 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL19109799 0.97 HCRTR1 (0.42) HCRTR1PGRPLA2G2APLA2G4ACASP3
SCHEMBL17945135 0.97 PGR (0.44) HCRTR1PGRPLA2G2APLA2G4ACASP3
SCHEMBL19109795 0.96 HCRTR1 (0.43) HCRTR1PGRPLA2G2APLA2G4ACASP3
SCHEMBL26492232 0.93 HCRTR1 (0.43) HCRTR1PGRPLA2G2APLA2G4ACASP3
SCHEMBL17932125 0.93 HCRTR1 (0.43) HCRTR1PGRPLA2G2APLA2G4ACASP3
SCHEMBL17932162 0.93 PLA2G2A (0.43) HCRTR1PGRPLA2G2APLA2G4ACASP3
SCHEMBL19108517 0.93 HCRTR1 (0.39) HCRTR1PGRPLA2G2APLA2G4AAHR
SCHEMBL17264008 0.93 HCRTR1 (0.47) HCRTR1PGRPLA2G2APLA2G4ACASP3
SCHEMBL17945501 0.93 AHR (0.43) HCRTR1PLA2G2APLA2G4AAHRPLA2G10
SCHEMBL17945123 0.92 HCRTR1 (0.42) HCRTR1PGRPLA2G2APLA2G4ACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 — — US disclosed
US-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 — — US disclosed
Send feedback