SCHEMBL13063798

SCHEMBL13063798

CCC(C)(C)Oc1ccc(Cc2ccc(OC(=O)C(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.50
OPRK1 P41145 1/20 0.47
ALOX15 P16050 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRA2A P08913 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD1 P21728 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
PPARA Q07869 4/20 0.38
PPARG P37231 1/20 0.38
PTGS2 P35354 1/20 0.36
ABCB11 O95342 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
PMP22 Q01453 1/20 0.35
PLA2G1B P04054 1/20 0.35

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
SCHEMBL14192802 0.89 ELANE (0.48) ELANEOPRK1PPARAPPARGPTGS2
SCHEMBL14192797 0.88 ELANE (0.50) ELANEOPRK1PPARAPPARGABCB11
SCHEMBL12085802 0.88 ELANE (0.50) ELANEOPRK1PPARAPPARGABCB11
SCHEMBL13758543 0.86 ELANE (0.47) ELANEPPARAABCB11CYP1A2CYP3A4
SCHEMBL14192882 0.86 ELANE (0.69) ELANEADRA1ADRD3PPARAPPARG
SCHEMBL13765384 0.84 ELANE (0.46) ELANEOPRK1PPARAABCB11CYP1A2
SCHEMBL13631983 0.81 ELANE (0.43) ELANEPPARAABCB11CYP1A2CYP3A4
SCHEMBL21942215 0.81 ELANE (0.49) ELANEPPARAPPARGCYP1A2KMT2A
SCHEMBL14679473 0.81 ELANE (0.59) ELANEOPRK1PPARAPPARGABCB11
SCHEMBL14701715 0.81 ELANE (0.59) ELANEOPRK1PPARAPPARGABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170285498-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CARTRIDGE, AND IMAGE FORMING APPARATUS MITSUBISHI CHEMICAL CORPORATION (JP) 2017-10-05 US disclosed
US-20100329748-A1 DEVELOPING DEVICE AND IMAGE FORMING APPARATUS USING THE DEVELOPING DEVICE RICOH COMPANY, LTD. (JP) 2010-12-30 US disclosed
US-20080146759-A1 Sulfur-Containing Compound, Method for Producing Same, Sulfur-Containing Polymer, and Optical Material IDEMITSU KOSAN CO., LTD (JP) 2008-06-19 US disclosed