SCHEMBL11310489

SCHEMBL11310489

COC(=O)CCCCC(N)CCCCCC(N)CCCCC(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 3/20 0.50
SLC1A1 P43005 1/20 0.44
PABPC1 P11940 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
ENPEP Q07075 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
EPHX2 P34913 1/20 0.39
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39

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
SCHEMBL25694634 1.00 TSHR (0.56) TSHRALDH1A1L3MBTL1LMNASLC1A1
SCHEMBL8586587 0.93 ALDH1A1 (0.56) TSHRALDH1A1L3MBTL1LMNAPPARG
SCHEMBL28444110 0.93 ALDH1A1 (0.56) TSHRALDH1A1L3MBTL1LMNAPPARG
SCHEMBL8584594 0.93 ALDH1A1 (0.56) TSHRALDH1A1L3MBTL1LMNAPPARG
SCHEMBL5306511 0.93 ALDH1A1 (0.56) TSHRALDH1A1L3MBTL1LMNAPPARG
Hydrochloric Acid SCHEMBL8144696 0.91 ALDH1A1 (0.54) TSHRALDH1A1L3MBTL1LMNAPPARG
Hydrochloric Acid SCHEMBL26626701 0.91 ALDH1A1 (0.54) TSHRALDH1A1L3MBTL1LMNAPPARG
SCHEMBL10929865 0.90 TSHR (0.50) TSHRALDH1A1L3MBTL1LMNASLC1A1
SCHEMBL19416404 0.88 TSHR (0.52) TSHRALDH1A1L3MBTL1LMNASLC1A1
SCHEMBL20064043 0.88 TSHR (0.52) TSHRALDH1A1L3MBTL1LMNASLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4275192-A ANTINEOPLASTIC AND ANTIVIRAL ACTIVITY G. D. SEARLE & CO. (US) 1981-06-23 US disclosed