SCHEMBL5246720

SCHEMBL5246720

NC(=O)OCCCOCCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 3/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
HTR1A P08908 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRNA7 P36544 1/20 0.40
ALOX15 P16050 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
MAPK1 P28482 1/20 0.33
MEN1 O00255 2/20 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
SCHEMBL28612804 0.91 GAA (0.52) LMNAGAATSHRCHRM2CHRM4
SCHEMBL21647630 0.91 TSHR (0.46) LMNAGAATSHRCHRM2CHRM4
SCHEMBL4696888 0.91 LMNA (0.41) LMNAGAATSHRCHRM2CHRM4
SCHEMBL28771844 0.91 LMNA (0.41) LMNAGAATSHRCHRM2CHRM4
SCHEMBL88487 0.91
SCHEMBL23777349 0.89 MEN1 (0.48) LMNAGAATSHRCHRM2CHRM4
SCHEMBL22326167 0.84 MEN1 (0.48) LMNAGAATSHRCHRM2CHRM4
SCHEMBL22326177 0.84 MEN1 (0.48) LMNAGAATSHRCHRM2CHRM4
SCHEMBL22326195 0.84 MEN1 (0.48) LMNAGAATSHRCHRM2CHRM4
SCHEMBL28506271 0.84 MEN1 (0.48) LMNAGAATSHRCHRM2CHRM4

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-118103074-A Cytotoxic targeting chimeras for CCR2 expressing cells 葛兰素史克知识产权发展有限公司 2024-05-28 CN disclosed
EP-4334307-A1 CDK2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-03-13 EP disclosed
CN-111471056-B Macrocyclic immunomodulator 成都先导药物开发股份有限公司 2021-07-02 CN disclosed
CN-111471056-A Macrocyclic immunomodulator 成都先导药物开发股份有限公司 2020-07-31 CN disclosed
EP-1379598-B1 UNSATURATED COMPOUNDS CONTAINING CARBAMATE TERMINAL GROUPS OR UREA TERMINAL GROUPS BASF AG (DE) 2007-09-12 EP disclosed
US-6916854-B2 Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040097642-A1 Unsaturated compounds containing carbamate terminal groups or urea terminal groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed