SCHEMBL7711991

SCHEMBL7711991

COC(=O)CCCCSCCCCCCCCCCCO

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
LMNA P02545 3/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GBA1 P04062 1/20 0.38
EPHX2 P34913 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL26650858 0.96 TSHR (0.52) TSHRLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL18771044 0.92 TSHR (0.52) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL26650804 0.92 TSHR (0.52) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL10608277 0.92 TSHR (0.46) TSHRLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL9105726 0.92 TSHR (0.61) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL11949551 0.90 TSHR (0.64) TSHRLMNAALDH1A1KDM4EKMT2A
SCHEMBL816422 0.88 TSHR (0.67) TSHRLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL1277943 0.88 TSHR (0.67) TSHRLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL1199597 0.88 TSHR (0.67) TSHRLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL1886420 0.88 TSHR (0.67) TSHRLMNAALDH1A1KDM4ESMN1; SMN2

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-6362352-B1 MEDICAL DIAGNOSIS DUKE UNIVERSITY 2002-03-26 US disclosed
WO-2000063216-A1 F-18-LABELED THIA FATTY ACIDS AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2000-10-26 WO disclosed