SCHEMBL6055441

SCHEMBL6055441

CCC(C)(C)P(Cc1ccccc1)C(C)(C)CC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.46
TP53 P04637 1/20 0.44
SLC6A2 P23975 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CYP2D6 P10635 2/20 0.39
LMNA P02545 1/20 0.39
CALM1 P0DP23 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
PRMT1 Q99873 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
TRPA1 O75762 1/20 0.34
IDO1 P14902 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL706086 0.81 TAAR1 (0.44) RIPK1TP53SLC6A2TAAR1CYP2D6
SCHEMBL29703786 0.79 GABRA1 (0.36) RIPK1IDO1
SCHEMBL726157 0.79 GABRA1 (0.36) RIPK1IDO1
SCHEMBL726065 0.72 TAAR1 (0.41) TAAR1LMNAALDH1A1TSHR
SCHEMBL11236089 0.71 TAAR1 (0.44) TP53SLC6A2TAAR1CYP2D6LMNA
SCHEMBL3683269 0.70 TAAR1 (0.45) TAAR1LMNAALDH1A1TSHRIDO1
SCHEMBL6951031 0.69 TP53 (0.50) TP53SLC6A2TAAR1CALM1CYP3A4
SCHEMBL4238238 0.69 TP53 (0.50) TP53SLC6A2TAAR1CALM1CYP3A4
SCHEMBL515470 0.68 SLC6A2 (0.52) RIPK1TP53SLC6A2TAAR1CYP2D6
SCHEMBL10308668 0.68 TAAR1 (0.46) TP53SLC6A2TAAR1CYP2D6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115315419-A Preparation of aromatic carboxamides by palladium-catalyzed carbonylation 巴斯夫欧洲公司 2022-11-08 CN claimed
CN-115298163-A Preparation of aromatic carboxamides by palladium-catalyzed carbonylation 巴斯夫欧洲公司 2022-11-04 CN claimed
CN-115315419-A Preparation of aromatic carboxamides by palladium-catalyzed carbonylation 巴斯夫欧洲公司 2022-11-08 CN disclosed
CN-115298163-A Preparation of aromatic carboxamides by palladium-catalyzed carbonylation 巴斯夫欧洲公司 2022-11-04 CN disclosed
CN-114989000-A Process for preparing unsaturated carboxylic acids by carbonylation of allyl alcohol and acylates thereof 巴斯夫欧洲公司 2022-09-02 CN disclosed
CN-110312701-B Process for preparing unsaturated carboxylic acids by carbonylation of allyl alcohol and acylates thereof 巴斯夫欧洲公司 2022-06-03 CN disclosed
CN-111630034-A Bromination of pyridine derivatives 巴斯夫欧洲公司 2020-09-04 CN disclosed
CN-111630033-A Preparation of optionally substituted dihydroisoquinolines 巴斯夫欧洲公司 2020-09-04 CN disclosed
CN-111630042-A Halogenation of pyridine derivatives 巴斯夫欧洲公司 2020-09-04 CN disclosed
EP-1651587-A1 PROCESS FOR THE HYDROFORMYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS Lucite International UK Limited (GB) 2006-05-03 EP disclosed
WO-2005003070-A1 PROCESS FOR THE HYDROFORMYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INTERNATIONAL UK LIMITED (GB) 2005-01-13 WO disclosed