SCHEMBL29503529

SCHEMBL29503529

Cc1cccc(C(=O)c2cccc(C)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.68
POLB P06746 1/20 0.66
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
CNR2 P34972 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TDP1 Q9NUW8 2/20 0.58
ATM Q13315 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HPGD P15428 2/20 0.57
KCNK3 O14649 1/20 0.57
KCNH2 Q12809 1/20 0.57
KCNK9 Q9NPC2 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
CTSL P07711 1/20 0.56
CTSK P43235 1/20 0.56
MAPK13 O15264 1/20 0.54
MAPK12 P53778 1/20 0.54
MAPK11 Q15759 1/20 0.54

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
SCHEMBL186545 1.00 PARP1 (0.68) PARP1POLBHDAC8HDAC6CNR2
SCHEMBL15264066 0.98 PARP1 (0.65) PARP1POLBHDAC8HDAC6CNR2
SCHEMBL822041 0.95 PARP1 (0.63) PARP1POLBHDAC8HDAC6CNR2
SCHEMBL81347 0.93 ATM (0.71) PARP1POLBHDAC8HDAC6CNR2
SCHEMBL29658753 0.93 ATM (0.71) PARP1POLBHDAC8HDAC6CNR2
SCHEMBL11615210 0.93 PARP1 (0.61) PARP1POLBHDAC8HDAC6CNR2
SCHEMBL22175283 0.91 PARP1 (0.59) PARP1POLBHDAC8HDAC6CNR2
SCHEMBL822045 0.91 ALDH1A1 (0.67) PARP1POLBHDAC8HDAC6CNR2
SCHEMBL822173 0.91 ALDH1A1 (0.67) PARP1POLBHDAC8HDAC6CNR2
SCHEMBL30195107 0.91 ALDH1A1 (0.67) PARP1POLBHDAC8HDAC6CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117897424-A Aqueous polyurethane urea dispersions 科思创德国股份有限公司 2024-04-16 CN disclosed
WO-2023120356-A1 CURABLE ORGANOPOLYSILOXANE COMPOSITION AND ADHESIVE COMPOSITION CONTAINING SAME ダウ・東レ株式会社 2023-06-29 WO disclosed
WO-2022234802-A1 ULTRAVIOLET RADIATION-CURABLE SILICONE COMPOSITION, CURED PRODUCT THEREOF, LAYERED BODY, OPTICAL DEVICE, AND OPTICAL DISPLAY ダウ・東レ株式会社 2022-11-10 WO disclosed
WO-2022186137-A1 CO-MODIFIED ORGANOPOLYSILOXANE AND CURABLE ORGANOPOLYSILOXANE COMPOSITION INCLUDING SAME ダウ・東レ株式会社 2022-09-09 WO disclosed
WO-2022186138-A1 CO-MODIFIED ORGANOPOLYSILOXANE AND CURABLE ORGANOPOLYSILOXANE COMPOSITION INCLUDING SAME ダウ・東レ株式会社 2022-09-09 WO disclosed
CN-106715502-B Polymerizable composition, transparent resin, optical material, plastic lens, and method for producing transparent resin 豪雅镜片泰国有限公司 2022-03-22 CN disclosed