SCHEMBL30367641

SCHEMBL30367641

CCCCCCC1([N+](=O)[O-])CCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.47
EBP Q15125 1/20 0.39
KDM1A O60341 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP19A1 P11511 5/20 0.34

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
SCHEMBL7782520 0.76 SIGMAR1 (0.54) SIGMAR1EBPKDM1AALDH1A1CYP1A2
SCHEMBL7788011 0.76 SIGMAR1 (0.54) SIGMAR1EBPKDM1AALDH1A1CYP1A2
SCHEMBL7788022 0.76 SIGMAR1 (0.54) SIGMAR1EBPKDM1AALDH1A1CYP1A2
SCHEMBL19259384 0.75 SIGMAR1 (0.52) SIGMAR1EBPKDM1AALDH1A1CYP1A2
SCHEMBL7782450 0.74 SIGMAR1 (0.51) SIGMAR1EBPKDM1AALDH1A1CYP1A2
SCHEMBL30411876 0.74 SIGMAR1 (0.51) SIGMAR1EBPKDM1AALDH1A1CYP1A2
SCHEMBL22175918 0.73 SIGMAR1 (0.50) SIGMAR1EBPKDM1A
SCHEMBL7443804 0.72 HDAC9 (0.41) SIGMAR1KDM1AALDH1A1CYP1A2CYP2D6
SCHEMBL1038115 0.72 SIGMAR1 (0.47) SIGMAR1EBP
SCHEMBL29278507 0.72 SIGMAR1 (0.40) SIGMAR1EBPCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115872907-B Sulfonate thickened oil viscosity reducer and preparation method and application thereof 中国石油化工股份有限公司 2024-01-30 CN disclosed
CN-115872907-A Sulfonate thick oil viscosity reducer and preparation method and application thereof 中国石油化工股份有限公司 2023-03-31 CN disclosed