SCHEMBL7817852

SCHEMBL7817852

O=C(CCc1ccccc1)OP(=O)(O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
KEAP1 Q14145 1/20 0.53
ALDH1A1 P00352 1/20 0.50
FFAR1 O14842 1/20 0.50
KMT2A Q03164 1/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
CA9 Q16790 1/20 0.46
LPAR1 Q92633 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46

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
SCHEMBL7780729 0.89 HDAC1 (0.56) TDP1KMT2AHDAC2HDAC8HDAC6
SCHEMBL28530603 0.84 TDP1 (0.59) TDP1KEAP1ALDH1A1FFAR1KMT2A
SCHEMBL27726033 0.82 TDP1 (0.53) TDP1KEAP1ALDH1A1FFAR1KMT2A
SCHEMBL27735059 0.81 ALDH1A1 (0.55) ALDH1A1KMT2AHDAC8HDAC6TSHR
SCHEMBL27726024 0.81 TDP1 (0.56) TDP1KEAP1ALDH1A1FFAR1KMT2A
SCHEMBL3475314 0.80 TDP1 (0.54) TDP1KEAP1ALDH1A1FFAR1KMT2A
SCHEMBL3473789 0.80 TDP1 (0.54) TDP1KEAP1ALDH1A1FFAR1KMT2A
SCHEMBL27726053 0.80 TDP1 (0.54) TDP1KEAP1ALDH1A1FFAR1KMT2A
SCHEMBL7610731 0.78 TDP1 (0.53) TDP1KEAP1ALDH1A1FFAR1KMT2A
SCHEMBL8656330 0.78 LAP3 (0.44) HDAC2HDAC8HDAC6HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114197222-A Flame-retardant anti-dripping polyester fiber and preparation method and application thereof 山东龙港硅业科技有限公司 2022-03-18 CN disclosed
CN-101205268-B Method for hydrogenating conjugated diene polymer and hydrogenation catalyst composition TSRC CORP 2010-09-29 CN disclosed
CN-101205268-A Method for hydrogenating conjugated diene polymer and hydrogenation catalyst composition TSRC CORP (CN) 2008-06-25 CN disclosed
EP-1064289-A1 HETEROCYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM ARIAD PHARMACEUTICALS, INC. (US) 2001-01-03 EP disclosed
WO-1999047529-A1 HETEROCYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM ARIAD PHARMACEUTICALS, INC. (US) 1999-09-23 WO disclosed