SCHEMBL8967678

SCHEMBL8967678

Cc1ccccc1SNCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.39
TSHR P16473 2/20 0.33
MCHR1 Q99705 1/20 0.33
ACHE P22303 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HTR1A P08908 2/20 0.33
HTR3A P46098 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 4/20 0.32
HTT P42858 1/20 0.32
P2RX7 Q99572 1/20 0.32
AR P10275 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
IDO1 P14902 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
RAB9A P51151 2/20 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
SCHEMBL5832234 0.79 KMT2A (0.41) HAO1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL18301198 0.78 HAO1 (0.42) HAO1TSHRMCHR1ACHEALDH1A1
Bromide SCHEMBL11705855 0.76 HAO1 (0.41) HAO1TSHRMCHR1ACHEALDH1A1
SCHEMBL8967161 0.74 MAOA (0.41) ALDH1A1MAPTMEN1KMT2AIDO1
SCHEMBL8043276 0.70 ACHE (0.43) HAO1TSHRMCHR1ACHEALDH1A1
SCHEMBL29296553 0.69 ALDH1A1 (0.49) TSHRMCHR1ACHEALDH1A1L3MBTL1
SCHEMBL20282074 0.69 HPGD (0.41) ALDH1A1HTTP2RX7
SCHEMBL576094 0.69 ACHE (0.53) HAO1TSHRMCHR1ACHEALDH1A1
SCHEMBL30310011 0.68 HPGD (0.49) HAO1ACHEALDH1A1L3MBTL1MAPT
SCHEMBL20627334 0.68 MAOA (0.44) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0553081-B1 PESTICIDES ROUSSEL UCLAF (FR) 1996-02-28 EP disclosed
US-5326755-A Contain cyclopropane ring ROUSSEL UCLAF 1994-07-05 US disclosed
EP-0553081-A1 PESTICIDES. ROUSSEL UCLAF (FR) 1993-08-04 EP disclosed
WO-1991016301-A1 PESTICIDES THE WELLCOME FOUNDATION LIMITED (GB) 1991-10-31 WO disclosed