SCHEMBL11140604

SCHEMBL11140604

CC1(C)C(C#N)C1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.32
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30

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
SCHEMBL29065423 1.00 APLNR (0.32) APLNRKDM4ECYP1A2CYP2D6MAPT
SCHEMBL13845901 1.00 APLNR (0.32) APLNRKDM4ECYP1A2CYP2D6MAPT
SCHEMBL11315550 0.83
SCHEMBL3385056 0.78 APLNR (0.41) APLNRKDM4ECYP1A2CYP2D6MAPT
SCHEMBL5246594 0.78 APLNR (0.41) APLNRKDM4ECYP1A2CYP2D6MAPT
SCHEMBL11260869 0.78 APLNR (0.41) APLNRKDM4ECYP1A2CYP2D6MAPT
SCHEMBL30585633 0.78 MEN1 (0.30) MAPT
SCHEMBL30585634 0.78 MEN1 (0.30) MAPT
SCHEMBL11270207 0.78 MEN1 (0.30) MAPT
SCHEMBL9862097 0.75 APLNR (0.37) APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116640084-A Preparation process of (1R, 5S) -6, 6-dimethyl-3-azabicyclo [3.1.0] hexane 浙江司太立制药股份有限公司 2023-08-25 CN claimed
JP-53108951-A None JP disclosed
CN-116640084-A Preparation process of (1R, 5S) -6, 6-dimethyl-3-azabicyclo [3.1.0] hexane 浙江司太立制药股份有限公司 2023-08-25 CN disclosed
US-4420435-A Alpha-hydroxy-phosphonic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1983-12-13 US disclosed
US-4358409-A Preparation of styryl cyclopropane insecticide intermediates BAYER AKTIENGESELLSCHAFT (DE) 1982-11-09 US disclosed
EP-0019719-A1 Process for preparing alkenes, novel intermediates for their preparation and process for preparing them BAYER AG (DE) 1980-12-10 EP disclosed
JP-S53108951-A CYCLOPROPANECARBOXYLIC ACID DERIVATIVE AND ITS PRODUCTION KURARAY CO LTD 1978-09-22 JP disclosed