SCHEMBL6694936

SCHEMBL6694936

CCCCC(=O)Nc1ccc(C)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.72
HDAC1 Q13547 3/20 0.72
HDAC2 Q92769 3/20 0.72
HDAC10 Q969S8 3/20 0.72
HDAC11 Q96DB2 2/20 0.72
HDAC8 Q9BY41 2/20 0.72
HDAC6 Q9UBN7 2/20 0.72
HDAC4 P56524 1/20 0.72
HDAC7 Q8WUI4 1/20 0.72
HDAC9 Q9UKV0 1/20 0.72
HDAC5 Q9UQL6 1/20 0.72
NCOR2 Q9Y618 1/20 0.70
POLB P06746 2/20 0.66
ALDH1A1 P00352 2/20 0.64
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64

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
Methane SCHEMBL28141646 0.98 HDAC3 (0.70) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL26420478 0.95 HDAC3 (0.75) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL17252159 0.93 HDAC3 (0.76) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL5968936 0.93 HDAC3 (0.76) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL2531377 0.93 HDAC3 (0.76) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL13254437 0.93 HDAC3 (0.76) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL9320350 0.93 HDAC3 (0.76) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL517697 0.90 HDAC3 (0.86) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL8361539 0.89 TP53 (0.75) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL14578751 0.86 POLB (0.85) HDAC3HDAC1HDAC2HDAC10HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689848-A Spice composition 奇华顿股份有限公司 2019-04-26 CN claimed
EP-4204397-A1 INHIBITORS OF PSEUDOMONAS AERUGINOSA VIRULENCE FACTOR LASB Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2023-07-05 EP disclosed
CN-109689848-A Spice composition 奇华顿股份有限公司 2019-04-26 CN disclosed
CN-108368450-A In organic compound or associated improvement 奇华顿股份有限公司 2018-08-03 CN disclosed
US-7175976-B2 Silver halide photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 2007-02-13 US disclosed
US-7175976-B2 Silver halide photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 2007-02-13 US disclosed
EP-0950669-B1 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM & HAAS (US) 2004-09-08 EP disclosed
US-6306991-B1 TWO PART COATING COMPOSITION WITH TWO CONTAINERS, OXIDATIVE POLYMERS WITH CROSSLINKABLE FUNCTIONAL GROUPS ROHM AND HAAS COMPANY 2001-10-23 US disclosed
US-6149977-A CONTACTING THE OXIDATIVE POLYMER WITH A CATALYTIC AMOUNT OF AN OXIDIZING ENZYME, SUCH AS HORSERADISH PEROXIDASE. ROHM AND HAAS COMPANY (US) 2000-11-21 US disclosed
EP-0950669-A2 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM AND HAAS COMPANY (US) 1999-10-20 EP disclosed