SCHEMBL28182262

SCHEMBL28182262

CC1=CC=C(c2ccccc2)C(O)C1=Nc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GABRA1 P14867 2/20 0.31
▸ GABRB2 P47870 2/20 0.31
▸ FAAH O00519 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ GABRB1 P18505 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31

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
SCHEMBL28853500 0.77 FAAH (0.32) TSHRLMNAGABRA1GABRB2FAAH
SCHEMBL28181496 0.72 GABRA1 (0.34) TSHRLMNAGABRA1GABRB2FAAH
SCHEMBL28181493 0.67 GABRA1 (0.34) TSHRLMNAGABRA1GABRB2FAAH
SCHEMBL28181494 0.63 GABRA1 (0.33) TSHRLMNAGABRA1GABRB2FAAH
SCHEMBL5591140 0.61 GABRA1 (0.36) TSHRLMNAKMT2AGABRA1GABRB2
SCHEMBL651872 0.61 NOTUM (0.41) TSHRALDH1A1ALOX15LMNAKMT2A
SCHEMBL651871 0.61 NOTUM (0.41) TSHRALDH1A1ALOX15LMNAKMT2A
SCHEMBL5588398 0.60 GABRA1 (0.35) TSHRLMNAGABRA1GABRB2FAAH
Hydrogen Peroxide SCHEMBL99126 0.59 GABRA1 (0.65) TSHRLMNAKMT2AGABRA1GABRB2
Hydrogen Peroxide SCHEMBL20593356 0.59 GABRA1 (0.65) TSHRLMNAKMT2AGABRA1GABRB2

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
CN-105085729-B A kind of catalytic component and catalyst for olefinic polymerization 中国石油化工股份有限公司 2018-01-23 — — CN claimed
CN-105085732-B A kind of catalytic component and its catalyst for olefinic polymerization 中国石油化工股份有限公司 2017-11-07 — — CN claimed
CN-105085729-B A kind of catalytic component and catalyst for olefinic polymerization 中国石油化工股份有限公司 2018-01-23 — — CN disclosed
CN-105085726-B A kind of catalytic component and catalyst for olefinic polymerization 中国石油化工股份有限公司 2017-11-07 — — CN disclosed
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