SCHEMBL8423765

SCHEMBL8423765

C=CCON(CCCCCCCCCC)CCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
ALDH1A1 P00352 2/20 0.41
DNM1 Q05193 3/20 0.39
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
FAAH O00519 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
THRB P10828 1/20 0.33
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
GBA1 P04062 1/20 0.31

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
SCHEMBL4872899 1.00 TSHR (0.48) TSHRALDH1A1DNM1MEN1POLB
SCHEMBL20529604 0.83 TSHR (0.41) TSHRALDH1A1MEN1POLBKMT2A
SCHEMBL11130605 0.82 TSHR (0.35) TSHRALDH1A1MEN1POLBKMT2A
SCHEMBL11115491 0.76 TSHR (0.34) TSHRALDH1A1MEN1POLBKMT2A
SCHEMBL27648624 0.75 DNM1 (0.48) TSHRALDH1A1DNM1THRBCA12
SCHEMBL9476510 0.75 DNM1 (0.48) TSHRALDH1A1DNM1THRBCA12
SCHEMBL28758717 0.75 DNM1 (0.48) TSHRALDH1A1DNM1THRBCA12
SCHEMBL10720718 0.75 TSHR (0.40) TSHRALDH1A1DNM1MEN1POLB
Dymanthine SCHEMBL23633191 0.73 DNM1 (0.60) TSHRALDH1A1DNM1MEN1POLB
SCHEMBL6679948 0.73 DNM1 (0.46) TSHRALDH1A1DNM1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0454622-B1 Alkenyl substituted stabilizers CIBA GEIGY AG (CH) 1999-10-13 EP claimed
EP-0454622-A1 Alkenyl substituted stabilizers CIBA-GEIGY AG (CH) 1991-10-30 EP claimed
US-5045583-A O-alkenyl substituted hydroxylamine stabilizers CIBA-GEIGY CORPORATION (US) 1991-09-03 US claimed
EP-0454622-B1 Alkenyl substituted stabilizers CIBA GEIGY AG (CH) 1999-10-13 EP disclosed
EP-0454622-A1 Alkenyl substituted stabilizers CIBA-GEIGY AG (CH) 1991-10-30 EP disclosed
US-5045583-A O-alkenyl substituted hydroxylamine stabilizers CIBA-GEIGY CORPORATION (US) 1991-09-03 US disclosed