SCHEMBL9525816

SCHEMBL9525816

CCC(C)(C)c1ccc(-c2ccc(C(=O)O)s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.57
▸ POLB P06746 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ HPGDS O60760 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ GAA P10253 1/20 0.49
▸ NR4A2 P43354 1/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ MKNK1 Q9BUB5 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 4/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6264067 0.84 RAB9A (0.64) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL20402574 0.79 HSD17B1 (0.46) RAB9APOLBMEN1KMT2ANPC1
SCHEMBL9525949 0.78 RAB9A (0.55) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL9613121 0.78 RAB9A (0.64) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL1660905 0.78 RAB9A (0.64) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL13930984 0.76 HDAC6 (0.48) RAB9APOLBMEN1KMT2AALDH1A1
SCHEMBL3756385 0.75 POLB (0.70) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL10715065 0.74 RAB9A (0.55) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL27782216 0.74 DAO (0.61) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL422509 0.73 RAB9A (0.72) RAB9APOLBMEN1KMT2AHPGDS

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
EP-0259972-B1 HETEROCYCLIC PROPENE AMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS LILLY INDUSTRIES LIMITED (GB) 1993-07-14 — — EP disclosed
CN-1021050-C PREPARING METHOD FOR BUTYRUMID DERIVATIVE LILLY INDUSTRIES LTD (GB) 1993-06-02 — — CN disclosed
US-4983619-A Leukotriene antagonists LILLY INDUSTRIES LIMITED (GB) 1991-01-08 — — US disclosed
CN-87105515-A Derivatives of phenylbutenamide compounds and preparation method thereof — 1988-03-23 — — CN disclosed
EP-0259972-A2 Heterocyclic propene amide derivatives, processes for their preparation and their use as pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1988-03-16 — — EP disclosed
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