SCHEMBL8895870

SCHEMBL8895870

[CH2]CCCCCCC(=O)OCc1ccc(C)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
ENPP2 Q13822 1/20 0.38
HSP90AA1 P07900 1/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ELANE P08246 3/20 0.37
CYP4F2 P78329 1/20 0.36

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
SCHEMBL6665889 0.91 SMN1; SMN2 (0.45) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL28556266 0.86 ELANE (0.47) SMN1; SMN2ENPP2ELANEL3MBTL1
SCHEMBL6669165 0.81 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL11041480 0.77 CYP4F2 (0.57) SMN1; SMN2CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL8894428 0.77 HDAC8 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6667424 0.75 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL11037488 0.75 CYP4F2 (0.45) SMN1; SMN2CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL11467418 0.74 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL4316026 0.74 ALDH1A1 (0.54) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL8895494 0.73 CYP4F2 (0.48) SMN1; SMN2HSP90AA1FAAHMGLLCYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed