SCHEMBL863862

SCHEMBL863862

CC1=C(C)C(C)(C)C([Ti]C2=C(C)C(C)=C(C)C2(C)C)=C1C.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
KCNH2 Q12809 2/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TAAR1 Q96RJ0 3/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
CYP2A6 P11509 1/20 0.33
HTR2A P28223 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
ELANE P08246 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 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
SCHEMBL2381967 0.78 CTSD (0.33)
SCHEMBL4871056 0.75 CYP1A2 (0.36) MAOAMAOBKCNH2ALDH1A1HPGD
Chloromethane SCHEMBL7611586 0.74 CTSD (0.31)
Carbon Monoxide SCHEMBL863259 0.72 CTSD (0.34)
SCHEMBL4577267 0.72
SCHEMBL3828788 0.71 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL27635639 0.70 IDO1 (0.40) ALDH1A1ALOX15ATM
Hydrochloric Acid SCHEMBL715988 0.69
SCHEMBL27416802 0.68 ALDH1A1 (0.31) ALDH1A1
Ethane SCHEMBL21049496 0.66 ALDH1A1 (0.61) MAOAMAOBKCNH2ALDH1A1HPGD

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-20120076696-A1 Apparatus for hydrogenation and method for hydrogenating conjugated diene polymer by employing the apparatus CHI-MEI CORPORATION 2012-03-29 US disclosed
US-20110086978-A1 Apparatus for hydrogenation and method for hydrogenating conjugated diene polymer by employing the apparatus CHI-MEI CORPORATION 2011-04-14 US disclosed
US-20080262161-A1 Apparatus for hydrogenation and method for hydrogenating conjugated diene polymer by employing the apparatus CHI-MEI CORPORATION 2008-10-23 US disclosed
US-6313230-B1 HYDROGENATING CONJUGATED DIENE POLYMERS IN PRESENCE OF HYDROGEN AND A HYDROGENATION CATALYST FORMULATION COMPRISING TITANIUM COMPOUND, SILYL HYDRIDE COMPOUND, POLYSILOXANE, SILAZAN COMPOUND, AND METALLIC COMPOUND INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2001-11-06 US disclosed