SCHEMBL9065697

SCHEMBL9065697

CCC(CC)(C(=O)O)C(=O)OCCCl

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
TSHR P16473 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
SCHEMBL452622 0.83 HCAR2 (0.41) MEN1KMT2ACHRM2CHRM1CHRM3
SCHEMBL9065007 0.82 ALDH1A1 (0.34) MEN1KMT2ATSHR
SCHEMBL30440649 0.81 MEN1 (0.47) MEN1KMT2ATSHR
SCHEMBL9065849 0.80 CHRM2 (0.34) MEN1KMT2ACHRM2CHRM1CHRM3
SCHEMBL455718 0.80 ALDH1A1 (0.48) TSHR
SCHEMBL9065316 0.80 MEN1 (0.32) MEN1KMT2ACHRM2CHRM1CHRM3
SCHEMBL1748129 0.80 TSHR (0.36) MEN1KMT2ACHRM2CHRM1CHRM3
SCHEMBL456197 0.79 MEN1 (0.48) MEN1KMT2ATSHR
SCHEMBL11034348 0.78 NAAA (0.47) TSHR
SCHEMBL6423478 0.78 ALDH1A1 (0.35) MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5569780-A Dialkyl 2-haloethyl malonates HULS AKTIENGESELLSCHAFT (DE) 1996-10-29 US disclosed
US-5463111-A Process for preparing dialkyl 2-haloethyl malonates HULS AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed