SCHEMBL4742964

SCHEMBL4742964

O=C(c1ccc(C2CCCC2)cc1)c1ccc(C2CCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.66
HDAC6 Q9UBN7 3/20 0.66
HDAC1 Q13547 1/20 0.66
HAO1 Q9UJM8 1/20 0.56
DEGS1 O15121 2/20 0.53
HDAC3 O15379 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
SRD5A2 P31213 1/20 0.48
ACMSD Q8TDX5 2/20 0.47
KMO O15229 1/20 0.47
NAMPT P43490 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.45

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
SCHEMBL341579 0.98 HDAC8 (0.63) HDAC8HDAC6HDAC1HAO1DEGS1
SCHEMBL9860574 0.95 HDAC8 (0.60) HDAC8HDAC6HDAC1HAO1DEGS1
SCHEMBL7357954 0.91 HDAC8 (0.53) HDAC8HDAC6HDAC1HAO1DEGS1
SCHEMBL11218828 0.90 KMO (0.57) HDAC8HDAC6HDAC1HAO1DEGS1
SCHEMBL3495930 0.84 HDAC8 (0.63) HDAC8HDAC6HDAC1HAO1DEGS1
SCHEMBL11576463 0.84 ALDH1A1 (0.67) HDAC8HDAC6HDAC1HAO1SMN1; SMN2
SCHEMBL10943927 0.84 HDAC8 (0.50) HDAC8HDAC6HDAC1HAO1DEGS1
SCHEMBL8945320 0.83 PGR (0.58) HDAC8HDAC6HDAC1HAO1SRD5A2
SCHEMBL354930 0.83 KMO (0.62) HDAC8HDAC6HDAC1HAO1DEGS1
SCHEMBL10011074 0.83 HDAC8 (0.61) HDAC8HDAC6HDAC1HAO1DEGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118201991-A Methods and compositions for reducing solvent release from agrochemical formulations and reducing agrochemical formulation odor 安道麦马克西姆有限公司 2024-06-14 CN claimed
CN-118201991-A Methods and compositions for reducing solvent release from agrochemical formulations and reducing agrochemical formulation odor 安道麦马克西姆有限公司 2024-06-14 CN disclosed
CN-118027260-A High-selectivity polymer material with adjustable repeating unit carbon skeleton structure and preparation method thereof 大连理工大学 2024-05-14 CN disclosed
CN-116282078-A Salt recovery solution and method of using the same 阿克福特斯技术有限公司 2023-06-23 CN disclosed
WO-2023085225-A1 METHOD FOR MANUFACTURING RECYCLED RESIN COMPOSITION 住友化学株式会社 2023-05-19 WO disclosed
CN-113785023-B Water-based ink composition for reversible thermochromic writing instrument, refill for refill and water-based ballpoint pen incorporating same 株式会社百乐 2023-05-12 CN disclosed
CN-113891760-A Solvent drying compositions and related methods 阿克福特斯技术有限公司 2022-01-04 CN disclosed
CN-111225875-A Salt recovery solution and method of using salt recovery solution 阿克福特斯技术有限公司 2020-06-02 CN disclosed
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed
EP-0468974-A4 NOVEL HMG-COA REDUCTASE INHIBITORS 1992-03-25 EP disclosed
EP-0468974-A1 NOVEL HMG-CoA REDUCTASE INHIBITORS RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-02-05 EP disclosed
US-5001128-A HMG-COA reductase inhibitors RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-03-19 US disclosed
WO-1990010444-A1 NOVEL HMG-CoA REDUCTASE INHIBITORS RORER INTERNATIONAL (HOLDINGS), INC. (US) 1990-09-20 WO disclosed
US-4904691-A Novel HMG-CoA reductase inhibitors RORER PHARMACEUTICAL CORPORATION (US) 1990-02-27 US disclosed
US-4407823-A ANTIINFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1983-10-04 US disclosed
US-4377689-A Process for preparing spiro derivatives ETABLISSEMENTS NATIVELLE S.A. (FR) 1983-03-22 US disclosed
US-4371538-A Spiro derivatives, process for their preparation and medications containing same ETABLISSEMENTS NATIVELLE S.A. (FR) 1983-02-01 US disclosed