SCHEMBL7329411

SCHEMBL7329411

CC1=C(C)C(=O)C(C(=O)CCCCC(=O)O)=C(C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.46
▸ NSD2 O96028 1/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ IDE P14735 1/20 0.46
▸ RIN1 Q13671 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ LMNA P02545 2/20 0.42
▸ TSHR P16473 5/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ HDAC11 Q96DB2 6/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL11226475 0.85 PLA2G2A (0.44) TDP1AKR1B1PTPN1ALDH1A1MEN1
SCHEMBL2458016 0.83 GPR84 (0.39) TDP1NSD2ABL1GAAIDE
SCHEMBL7324226 0.81 APEX1 (0.45) TDP1NSD2ABL1GAAIDE
SCHEMBL11168354 0.80 APEX1 (0.47) TDP1NSD2ABL1GAAIDE
SCHEMBL7324274 0.76 PTPN1 (0.39) LMNATSHRHDAC3HDAC1HDAC2
SCHEMBL7320019 0.72 F13A1 (0.47) TDP1LMNATSHRNFKB1PMP22
Adipic Acid SCHEMBL518168 0.68 LMNA (0.92) TDP1LMNATSHRNFKB1PMP22
Sebacic Acid SCHEMBL2237815 0.65 TSHR (0.92) TDP1LMNATSHRNFKB1PMP22
SCHEMBL6049863 0.65 TSHR (0.92) TDP1LMNATSHRNFKB1PMP22
Octanedioate SCHEMBL11076791 0.65 TSHR (0.92) TDP1LMNATSHRNFKB1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4139545-A IMMUNO-POTENTIATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-02-13 — — US claimed
JP-51128932-A — — None — — JP disclosed
US-4525361-A FOR PHYSIOLOGICAL HOST DEFENSE CONTROL ACTIVITY IN MAMMALS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-06-25 — — US disclosed
US-4407757-A IMMUNOLOGY AGENT, MUSCLE RELAXANT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-10-04 — — US disclosed
US-4271083-A IMMUNO-POTENTIATING ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-06-02 — — US disclosed
US-4139545-A IMMUNO-POTENTIATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-02-13 — — US disclosed
JP-S51128932-A ORGANIC COMPOUNDS TAKEDA CHEM IND LTD 1976-11-10 — — JP disclosed
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