SCHEMBL9681542

SCHEMBL9681542

CCC(O)C(CCCO)(CCCO)CCCO

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 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
SCHEMBL27896226 0.93 TSHR (0.39) TSHRSMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL8352195 0.78 TSHR (0.39) TSHRSMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL15950043 0.78 TSHR (0.44) TSHRSMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL2351408 0.78 TSHR (0.39) TSHRSMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL11796169 0.75 SMN1; SMN2 (0.39) TSHRSMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL7929601 0.75 TSHR (0.36) TSHRALDH1A1
SCHEMBL5677899 0.75 TSHR (0.50) TSHRLMNAMEN1KMT2A
SCHEMBL9778185 0.74 SMN1; SMN2 (0.33) TSHRSMN1; SMN2LMNAALDH1A1HSD17B10
1,4-Butanediol SCHEMBL18007026 0.74 SMN1; SMN2 (0.53) TSHRSMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL28283520 0.73 TSHR (0.34) TSHRSMN1; SMN2LMNAALDH1A1HSD17B10

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-5095044-A Odorless, discoloration inhibition CIBA-GEIGY CORPORATION (US) 1992-03-10 US disclosed
US-4950795-A PRINTING PLATES, PAPER COATING CIBA-GEIGY CORPORATION (US) 1990-08-21 US disclosed