SCHEMBL29644614

SCHEMBL29644614

CC(C)c1c(-c2ccccc2P)c(C(C)C)c(C2CCCCC2)c(C(C)C)c1C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.38
▸ PTPRC P08575 1/20 0.38
▸ PTPRF P10586 1/20 0.38
▸ CDC25B P30305 1/20 0.38
▸ PTGS2 P35354 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
SCHEMBL1963482 0.81 PTGS2 (0.39) PTPN1PTPRCPTPRFCDC25BPTGS2
SCHEMBL28420979 0.78 POLB (0.36) PTPN1PTPRCPTPRFCDC25B
SCHEMBL30357793 0.77 PTPN1 (0.34) PTPN1PTPRCPTPRFCDC25BPTGS2
SCHEMBL30576990 0.75 POLB (0.36) PTPN1PTPRCPTPRFCDC25B
SCHEMBL1505612 0.73 PTGS2 (0.40) PTPN1PTPRCPTPRFCDC25BPTGS2
SCHEMBL1505749 0.72 PTGS2 (0.39) PTPN1PTPRCPTPRFCDC25BPTGS2
SCHEMBL10713148 0.70 HTR1A (0.38) PTPN1PTPRCPTPRFCDC25BPTGS2
SCHEMBL29015609 0.70 — —
SCHEMBL30374031 0.70 ALOX5AP (0.38) PTPN1PTPRCPTPRFCDC25BPTGS2
SCHEMBL29416152 0.69 ALDH1A1 (0.43) —

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
WO-2022119116-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING DEVICE 엘티소재주식회사 2022-06-09 — — WO disclosed
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