SCHEMBL22073078

SCHEMBL22073078

Oc1ccc(-c2ccc(O)c3ccccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.59
ALOX5 P09917 2/20 0.50
ABL1 P00519 1/20 0.48
ABCB1 P08183 1/20 0.48
BCR P11274 1/20 0.48
MMP3 P08254 1/20 0.48
BCL2L1 Q07817 1/20 0.48
HDAC3 O15379 1/20 0.46
EP300 Q09472 1/20 0.46
KAT2B Q92831 1/20 0.46
KAT8 Q9H7Z6 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
ESR2 Q92731 6/20 0.45
ESR1 P03372 6/20 0.45
COMT P21964 1/20 0.43
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
CAPN1 P07384 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42

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
SCHEMBL22072865 0.91 MMP3 (0.57) ALOX5ABL1ABCB1BCRMMP3
SCHEMBL22342393 0.89 MEN1 (0.49) IDO1ALOX5ABL1ABCB1BCR
SCHEMBL11499669 0.88 IDO1 (0.68) IDO1ALOX5ABL1ABCB1BCR
SCHEMBL14417401 0.86 IDO1 (0.59) IDO1ALOX5MMP3BCL2L1HDAC3
SCHEMBL1889602 0.86 IDO1 (0.65) IDO1ALOX5BCL2L1HDAC3EP300
SCHEMBL14417379 0.83 COMT (0.62) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL1890061 0.81 MCL1 (0.58) IDO1HSD17B1HSD17B2
SCHEMBL9721304 0.80 ALOX5 (0.48) ALOX5ABL1ABCB1BCRESR2
SCHEMBL13265824 0.80 IDO1 (0.81) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL442916 0.80 IDO1 (0.81) IDO1HDAC3EP300KAT2BKAT8

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-113984757-A Method for measuring total acid value of jet fuel 中国人民解放军空军勤务学院 2022-01-28 CN claimed
CN-112881375-A Gear oleic acid value survey device 太原理工大学 2021-06-01 CN claimed
CN-113984757-A Method for measuring total acid value of jet fuel 中国人民解放军空军勤务学院 2022-01-28 CN disclosed
WO-2020115936-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT DIC株式会社 2020-06-11 WO disclosed