SCHEMBL27449477

SCHEMBL27449477

CCCCCCCC1CC[CH]CC1.[LiH]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.46
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 1/20 0.40
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.36
LSS P48449 2/20 0.36
PKM P14618 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
SIGMAR1 Q99720 3/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
GNAO1 P09471 1/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 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
SCHEMBL4921810 0.98 CYP1A2 (0.48) CYP1A2EPHX1ALDH1A1HTTMEN1
SCHEMBL547742 0.98 CYP1A2 (0.48) CYP1A2EPHX1ALDH1A1HTTMEN1
SCHEMBL55638 0.98 CYP1A2 (0.48) CYP1A2EPHX1ALDH1A1HTTMEN1
SCHEMBL4923265 0.98 CYP1A2 (0.48) CYP1A2EPHX1ALDH1A1HTTMEN1
SCHEMBL8744097 0.98 CYP1A2 (0.48) CYP1A2EPHX1ALDH1A1HTTMEN1
SCHEMBL1127668 0.98 CYP1A2 (0.48) CYP1A2EPHX1ALDH1A1HTTMEN1
SCHEMBL27618641 0.98 CYP1A2 (0.48) CYP1A2EPHX1ALDH1A1HTTMEN1
SCHEMBL4921924 0.98 CYP1A2 (0.48) CYP1A2EPHX1ALDH1A1HTTMEN1
SCHEMBL548259 0.96 CYP1A2 (0.50) CYP1A2EPHX1ALDH1A1HTTMEN1
SCHEMBL27288023 0.91 CYP1A2 (0.56) CYP1A2EPHX1HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102485762-B Colourless butylbenzene segmented copolymer with low gel content and preparation method thereof CHINA PETROLEUM & CHEMICAL 2014-07-30 CN disclosed
CN-103570851-A Method for terminating conjugated diene homopolymerization CHINA PETROLEUM & CHEMICAL 2014-02-12 CN disclosed
CN-103570874-A Method for terminating copolymerization between conjugated diene and vinyl aromatic hydrocarbon CHINA PETROLEUM & CHEMICAL 2014-02-12 CN disclosed
CN-102485762-A Colourless butylbenzene segmented copolymer with low gel content and preparation method thereof CHINA PETROLEUM & CHEMICAL 2012-06-06 CN disclosed
CN-1233748-C Modified compsn. of asphaltum and preparation method INST OF YANSHAN SUBSIDIARY OF (CN) 2005-12-28 CN disclosed
CN-1186360-C Conjugated diene copolymer rubber and its prepn process INST OF BEIJING YANSHAN PETROC (CN) 2005-01-26 CN disclosed
CN-1519277-A Modified compsn. of asphaltum and preparation method 中国石油化工股份有限公司北京燕山分 2004-08-11 CN disclosed
CN-1137175-C Conjugated biolofin and monovinylarene dual-block rubber with high wet skid resistance and low rolling resistance 北京燕山石油化工公司研究院 2004-02-04 CN disclosed
CN-1445252-A Conjugated alkadiene polymer rubbers with no-color and low gelatin and its preparing method INST OF YANSHAN PETROCHEMICAL (CN) 2003-10-01 CN disclosed
CN-1432586-A Conjugated diene copolymer rubber and its prepn process INST OF BEIJING YANSHAN PETROC (CN) 2003-07-30 CN disclosed
CN-1317506-A Conjugated biolofin and monovinylarene dual-block rubber with high wet skid resistance and low rolling resistance RES INST OF YANSHAN PETRO CHEM (CN) 2001-10-17 CN disclosed