SCHEMBL8074567

SCHEMBL8074567

C=CC(CC)CCCC(C=C)CCCCC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
OPRM1 P35372 1/20 0.36
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
DNM1 Q05193 2/20 0.32
TRPA1 O75762 1/20 0.31
DDAH1 O94760 1/20 0.31
GAPDH P04406 1/20 0.31
MAPT P10636 1/20 0.31
FDPS P14324 2/20 0.31
THRB P10828 1/20 0.30
GPR84 Q9NQS5 2/20 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
SCHEMBL9090482 0.95 TSHR (0.50) TSHRSMN1; SMN2OPRM1ALDH1A1LMNA
SCHEMBL25181805 0.93 TSHR (0.48) TSHRSMN1; SMN2OPRM1LMNAADH1B
SCHEMBL10552173 0.93 TSHR (0.48) TSHRSMN1; SMN2OPRM1LMNAADH1B
SCHEMBL4303631 0.93 TSHR (0.48) TSHRSMN1; SMN2OPRM1LMNAADH1B
SCHEMBL25171260 0.93 TSHR (0.48) TSHRSMN1; SMN2OPRM1LMNAADH1B
SCHEMBL5945372 0.93 TSHR (0.48) TSHRSMN1; SMN2OPRM1LMNAADH1B
SCHEMBL11651644 0.93 TSHR (0.48) TSHRSMN1; SMN2OPRM1LMNAADH1B
SCHEMBL19263699 0.93 TSHR (0.48) TSHRSMN1; SMN2OPRM1LMNAADH1B
SCHEMBL10899501 0.93 TSHR (0.48) TSHRSMN1; SMN2OPRM1LMNAADH1B
SCHEMBL10705046 0.93 TSHR (0.48) TSHRSMN1; SMN2OPRM1LMNAADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019354-A1 METHOD FOR PRODUCING ALDEHYDES Celanese Chemicals Europe GmbH (DE) 2000-07-19 EP disclosed
WO-1999016737-A1 METHOD FOR PRODUCING ALDEHYDES CELANESE CHEMICALS EUROPE GMBH (DE) 1999-04-08 WO disclosed
WO-1996003363-A1 PROCESS FOR THE HYDROFORMYLATION OF OLEFINICALLY UNSATURATED COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1996-02-08 WO disclosed