SCHEMBL8430293

SCHEMBL8430293

CNS(=O)(=O)c1ccc(C=C(C(=O)OC)C2=C(C)Cc3ccc(OC)cc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 3/20 0.39
▸ CES2 O00748 2/20 0.39
▸ CYTH2 Q99418 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ HDAC3 O15379 2/20 0.36
▸ HDAC4 P56524 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC7 Q8WUI4 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC10 Q969S8 2/20 0.36
▸ HDAC11 Q96DB2 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HDAC9 Q9UKV0 2/20 0.36
▸ HDAC5 Q9UQL6 2/20 0.36
▸ METAP1 P53582 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL8430753 0.90 AKR1C2 (0.43) MIFCES2CYTH2AKR1C3HDAC3
SCHEMBL10603244 0.89 CA2 (0.46) MIFCES2CA1CA2CA4
SCHEMBL8434852 0.88 MEN1 (0.38) AKR1C3MEN1KMT2ALMNASMN1; SMN2
SCHEMBL10736372 0.87 ALDH1A1 (0.41) MIFCES2AKR1C3HDAC1SMN1; SMN2
SCHEMBL8432678 0.82 MIF (0.46) MIFCES2AKR1C3HTTABCB1
SCHEMBL15572316 0.81 AKR1C3 (0.58) AKR1C3
SCHEMBL8603397 0.80 AKR1C3 (0.47) MIFCES2AKR1C3CA1CA2
SCHEMBL8430221 0.78 AKR1C3 (0.45) MIFCES2AKR1C3METAP1SMN1; SMN2
SCHEMBL5138929 0.78 AKR1C3 (0.43) AKR1C3MEN1KMT2AHTT
SCHEMBL10739997 0.77 CA1 (0.39) CA1CA2CA4CA7

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
US-5965619-A ADMINISTERING AN INDENE DERIVATIVE OF GIVEN FORMULA, SUCH AS 1-(2,4,6-TRIMETHOXYBENZYLIDENE)-5-DIMETHYLAMINO-2-METHYL-3-INDENYL ACETIC ACID, TO TREAT PRECANCEROUS LESIONS SUCH AS COLONIC ADENOMATOUS POLYPS; SIDE EFFECT REDUCTION CELL PATHWAYS INC. (US) 1999-10-12 — — US disclosed
EP-0142801-B1 INDENE DERIVATIVES USEFUL AS PAF-ANTAGONISTS MERCK & CO. INC. (US) 1989-05-31 — — EP disclosed
US-4656190-A PLATELET ACTIVATING FACTOR MERCK & CO., INC. (US) 1987-04-07 — — US disclosed
EP-0142801-A2 Indene derivatives useful as paf-antagonists MERCK & CO. INC. (US) 1985-05-29 — — EP disclosed
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