SCHEMBL11052010

SCHEMBL11052010

CCOC(=O)C1C(C#N)C1(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
ALDH1A1 P00352 7/20 0.36
TSHR P16473 3/20 0.36
PPM1B O75688 1/20 0.34
PTPN1 P18031 1/20 0.34
PPP1CC P36873 1/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL29246850 0.80 LMNA (0.47) LMNAALDH1A1TSHRTP53HTT
SCHEMBL8159372 0.80 LMNA (0.47) LMNAALDH1A1TSHRTP53HTT
SCHEMBL8159369 0.80 LMNA (0.47) LMNAALDH1A1TSHRTP53HTT
SCHEMBL8081928 0.80 LMNA (0.47) LMNAALDH1A1TSHRTP53HTT
SCHEMBL9560007 0.79 LMNA (0.46) LMNAALDH1A1TSHRTP53HTT
SCHEMBL30084108 0.79 LMNA (0.46) LMNAALDH1A1TSHRTP53HTT
SCHEMBL30084103 0.79 LMNA (0.46) LMNAALDH1A1TSHRTP53HTT
SCHEMBL11270207 0.79 MEN1 (0.30) LMNAMEN1KMT2AHTT
SCHEMBL30585633 0.79 MEN1 (0.30) LMNAMEN1KMT2AHTT
SCHEMBL30585634 0.79 MEN1 (0.30) LMNAMEN1KMT2AHTT

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
US-4448728-A Preparation of cis ester-nitrile cyclopropane compounds ROUSSEL UCLAF (FR) 1984-05-15 US disclosed
US-4420435-A Alpha-hydroxy-phosphonic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1983-12-13 US disclosed
EP-0043307-B1 CYCLOPROPANE-1-CARBOXYLIC ACID DERIVATIVES , THEIR SALTS, THEIR PREPARATION AND USE IN THE SYNTHESIS OF INTERMEDIATES OF CIS-PYRETHROIDS ROUSSEL-UCLAF (FR) 1983-11-23 EP disclosed
US-4358409-A Preparation of styryl cyclopropane insecticide intermediates BAYER AKTIENGESELLSCHAFT (DE) 1982-11-09 US disclosed
US-4332745-A Preparation of 2-cyano-3,3-dimethyl-cyclopropane-1-carboxylic acid esters and intermediates therefor BAYER AKTIENGESELLSCHAFT (DE) 1982-06-01 US disclosed
EP-0043307-A1 Cyclopropane-1-carboxylic acid derivatives , their salts, their preparation and use in the synthesis of intermediates of cis-pyrethroids ROUSSEL-UCLAF (FR) 1982-01-06 EP disclosed
US-4307033-A Preparation of 3,3-dimethyl-cyclopropane-1,1,2-tricarboxylic acid derivatives and intermediates therefor BAYER AKTIENGESELLSCHAFT (DE) 1981-12-22 US disclosed