SCHEMBL16709168

SCHEMBL16709168

CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1ccnn1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.34
TSHR P16473 2/20 0.34
COMT P21964 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
APLNR P35414 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ICMT O60725 1/20 0.31
ADRA1A P35348 1/20 0.31
NT5E P21589 1/20 0.30
ANPEP P15144 1/20 0.30

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
SCHEMBL21141809 0.82 ALDH1A1 (0.39) ALOX15TSHRALDH1A1KDM4ENPC1
Hydrochloric Acid SCHEMBL3641398 0.78 DPP4 (0.36) ALOX15TSHRALDH1A1LMNACYP1A2
SCHEMBL2040213 0.77 ALDH1A1 (0.49) ALOX15TSHRALDH1A1
SCHEMBL20143726 0.76 CYP3A4 (0.46) ALOX15TSHRALDH1A1LMNACYP1A2
SCHEMBL30125198 0.75 ALDH1A1 (0.48) ALOX15TSHRALDH1A1
SCHEMBL21647270 0.75 ALDH1A1 (0.48) ALOX15TSHRALDH1A1
SCHEMBL21131348 0.75 KDR (0.40) ALOX15TSHRALDH1A1KDM4ENPC1
SCHEMBL29373868 0.75 ALDH1A1 (0.48) ALOX15TSHRALDH1A1
SCHEMBL30024343 0.75 ALDH1A1 (0.48) ALOX15TSHRALDH1A1
SCHEMBL21131247 0.75 ALOX15 (0.36) ALOX15TSHRALDH1A1

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-9306179-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-04-05 US disclosed
US-9306179-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-04-05 US disclosed
US-20150129840-A1 OSMIUM COMPLEXES COMPRISING THREE DIFFERENT BIDENTATE LIGANDS AND METHOD OF MAKING THE SAME UNIVERSAL DISPLAY CORPORATION (US) 2015-05-14 US disclosed
US-20150129840-A1 OSMIUM COMPLEXES COMPRISING THREE DIFFERENT BIDENTATE LIGANDS AND METHOD OF MAKING THE SAME UNIVERSAL DISPLAY CORPORATION (US) 2015-05-14 US disclosed