SCHEMBL28650380

SCHEMBL28650380

C=CCC1(CCCC)c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 4/20 0.41
▸ APEX1 P27695 1/20 0.38
▸ ELANE P08246 1/20 0.36
▸ CPT1A P50416 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ PDK2 Q15119 3/20 0.34
▸ CYP2C19 P33261 3/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MMP2 P08253 2/20 0.32
▸ MMP9 P14780 2/20 0.32
▸ MMP8 P22894 2/20 0.32
▸ MMP13 P45452 2/20 0.32

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
SCHEMBL1858480 0.95 CPT1A (0.41) PGRAPEX1ELANECPT1AALOX12
SCHEMBL1929132 0.94 CPT1A (0.43) PGRAPEX1CPT1APDK2CYP2C19
SCHEMBL1927660 0.94 CPT1A (0.43) PGRAPEX1CPT1APDK2CYP2C19
SCHEMBL1927954 0.94 CPT1A (0.43) PGRAPEX1CPT1APDK2CYP2C19
SCHEMBL1928870 0.94 CPT1A (0.43) PGRAPEX1CPT1APDK2CYP2C19
Ethylene SCHEMBL28131121 0.84 APEX1 (0.47) PGRAPEX1ELANEALOX12KDM4E
SCHEMBL30110388 0.84 APEX1 (0.50) PGRAPEX1ELANEALOX12KDM4E
SCHEMBL1394531 0.84 APEX1 (0.50) PGRAPEX1ELANEALOX12KDM4E
SCHEMBL28799915 0.82 APEX1 (0.48) PGRAPEX1ELANEALOX12KDM4E
Benzene SCHEMBL27655081 0.82 APEX1 (0.53) PGRAPEX1ELANEALOX12KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137443-B Fluorene derivative, photopolymerization initiator containing same, and photoresist composition 克美 2021-06-08 — — CN disclosed
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