SCHEMBL8894428

SCHEMBL8894428

[CH2]CCCCCCCC(=O)OCc1cc(C)cc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.46
HSP90AA1 P07900 1/20 0.43
ALDH1A1 P00352 3/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
ELANE P08246 2/20 0.37
TACR1 P25103 2/20 0.37
MAPT P10636 1/20 0.37
PARP10 Q53GL7 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
LMNA P02545 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
SCHEMBL8894327 0.78 EPHX2 (0.41) HDAC8ALDH1A1FAAHMGLLELANE
SCHEMBL8897567 0.78 ALDH1A1 (0.56) ALDH1A1FAAHMGLLMAPTLMNA
SCHEMBL6050225 0.78 ALDH1A1 (0.56) ALDH1A1FAAHMGLLMAPTLMNA
SCHEMBL10922619 0.78 ALDH1A1 (0.56) ALDH1A1FAAHMGLLMAPTLMNA
SCHEMBL8895873 0.78 ALDH1A1 (0.56) ALDH1A1FAAHMGLLMAPTLMNA
SCHEMBL9346157 0.78 ALDH1A1 (0.56) ALDH1A1FAAHMGLLMAPTLMNA
SCHEMBL8895870 0.77 SMN1; SMN2 (0.39) HDAC8HSP90AA1ALDH1A1FAAHMGLL
SCHEMBL8893675 0.76 HSP90AA1 (0.44) HDAC8HSP90AA1ALDH1A1FAAHMGLL
SCHEMBL6966478 0.76 ALDH1A1 (0.58) ALDH1A1FAAHMGLLMAPTLMNA
SCHEMBL18381162 0.75 ALDH1A1 (0.55) ALDH1A1MAPTLMNA

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