SCHEMBL28458357

SCHEMBL28458357

CCc1c2ccccc2c(CC)c2c(OCC(CC)CC)cccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CYP1A2 P05177 4/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
NR2E1 Q9Y466 6/20 0.36
ADRB2 P07550 6/20 0.36
DNM1 Q05193 1/20 0.36
CYP2D6 P10635 4/20 0.35
ADRB1 P08588 4/20 0.35
SIGMAR1 Q99720 4/20 0.35
SLC6A4 P31645 3/20 0.35
HTR2B P41595 3/20 0.35
ALDH1A1 P00352 3/20 0.35
ADRB3 P13945 3/20 0.35
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 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
SCHEMBL20398469 0.81 HTR1B (0.37) KDM4ESLC6A4ALDH1A1TSHRHTR1B
SCHEMBL28461624 0.79 CYP1A2 (0.50) CYP1A2CYP2C19SLC6A4HTR1BCYP2C9
SCHEMBL10285685 0.72 KDM4E (0.58) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL79322 0.70 GAA (0.53) NFKB1NFKB2RELACYP1A2KDM4E
SCHEMBL3731188 0.70 TP53 (0.41) CYP1A2KDM4EMEN1KMT2AALDH1A1
SCHEMBL29853674 0.70 TP53 (0.45) CYP1A2KDM4EMEN1KMT2AALDH1A1
SCHEMBL2317562 0.70 TP53 (0.45) CYP1A2KDM4EMEN1KMT2AALDH1A1
SCHEMBL20915596 0.68 ALDH1A1 (0.38) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL17825551 0.68 LIPE (0.54) NFKB1NFKB2RELACYP1A2KDM4E
SCHEMBL6283927 0.67 IGF1R (0.39) NFKB1NFKB2RELACYP1A2KDM4E

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-111315828-B Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2023-09-29 CN disclosed
CN-112154167-B Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2023-08-22 CN disclosed
CN-111757919-B Compound and colored resin composition 住友化学株式会社 2021-08-27 CN disclosed
CN-111757919-A Compound and colored resin composition 住友化学株式会社 2020-10-09 CN disclosed