Toluene

Toluene

SCHEMBL20530503

CCC1CCCCC1.Cc1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
ACHE P22303 1/20 0.46
EPHX2 P34913 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATM Q13315 1/20 0.38
EPHX1 P07099 1/20 0.38
P2RX7 Q99572 1/20 0.37
CHRNA7 P36544 1/20 0.37
ESRRA P11474 1/20 0.37
KDM1A O60341 2/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
Biphenyl SCHEMBL27952142 0.85 RAB9A (0.44) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL6061299 0.85 BCHE (0.39) LMNATSHRALOX12ACHEEPHX2
Benzene SCHEMBL5853828 0.84 CYP1A2 (0.46) ACHEEPHX2NPC1RAB9AEPHX1
SCHEMBL27559852 0.82 EPHX2 (0.39) ALOX12EPHX2NPC1RAB9AMEN1
Phenol SCHEMBL28137446 0.82 OPRK1 (0.44) EPHX2NPC1RAB9AEPHX1P2RX7
Tert-Butylbenzene SCHEMBL6567015 0.79 CHRM2 (0.41) EPHX2RAB9AEPHX1KDM1AMAOA
Toluene SCHEMBL28689918 0.78 LMNA (0.44) LMNATSHRALOX12ACHECHRNA7
Phthalic Acid SCHEMBL29179033 0.77 ALDH1A1 (0.50) EPHX2NPC1RAB9AKMT2AEPHX1
Toluene SCHEMBL28423750 0.77 CTSS (0.40) LMNATSHRALOX12ACHEEPHX2
SCHEMBL25446788 0.76 CYP1A2 (0.52) ACHESIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10604598-B2 Method of producing (meth)acryloyl-terminated polyisobutylene polymer KANEKA CORPORATION (JP) 2020-03-31 US disclosed
CN-106896426-B Optical film and its manufacturing method, polarizing film and liquid crystal display device 柯尼卡美能达株式会社 2019-04-02 CN disclosed
US-20180362676-A1 METHOD OF PRODUCING (METH)ACRYLOYL-TERMINATED POLYISOBUTYLENE POLYMER KANEKA CORPORATION (JP) 2018-12-20 US disclosed
EP-3388454-A1 METHOD OF PRODUCING (METH)ACRYLOYL-TERMINATED POLYISOBUTYLENE POLYMER Kaneka Corporation (JP) 2018-10-17 EP disclosed
CN-108473513-A There is the straight chain organopolysiloxane and its manufacturing method of different functional groups in two ends 信越化学工业株式会社 2018-08-31 CN disclosed
CN-106896426-A Optical film and its manufacture method, polarizer and liquid crystal display device 柯尼卡美能达株式会社 2017-06-27 CN disclosed
CN-101155840-B Production process of polyacrylic acid (salt)water-absorbent resin NIPPON CATALYTIC CHEM IND 2011-06-15 CN disclosed
CN-101155840-A Production process of polyacrylic acid (salt)water-absorbent resin NIPPON CATALYTIC CHEM IND (JP) 2008-04-02 CN disclosed