SCHEMBL9734600

SCHEMBL9734600

CCCCOc1ccc(CCC(C)N(C)C(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
BCHE P06276 2/20 0.46
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43

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
SCHEMBL9734223 0.91 HRH3 (0.50) HRH3BCHEMEN1USP2ALDH1A1
Hydrochloric Acid SCHEMBL9734547 0.89 HRH3 (0.49) HRH3BCHEMEN1USP2ALDH1A1
Hydrochloric Acid SCHEMBL9735546 0.87 HRH3 (0.46) HRH3BCHEMEN1USP2ALDH1A1
Hydrochloric Acid SCHEMBL9734145 0.85 MEN1 (0.48) HRH3MEN1USP2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL9734228 0.85 MEN1 (0.48) HRH3MEN1USP2ALDH1A1LMNA
SCHEMBL10514011 0.85 BCHE (0.48) HRH3BCHEMEN1USP2ALDH1A1
Hydrochloric Acid SCHEMBL9734278 0.84 BCHE (0.47) HRH3BCHEMEN1USP2ALDH1A1
Hydrochloric Acid SCHEMBL9735402 0.83 ACACB (0.49) HRH3BCHELMNA
SCHEMBL9735865 0.79 BCHE (0.59) BCHEMEN1KMT2A
Hydrochloric Acid SCHEMBL9735168 0.77 TDP1 (0.51) HRH3BCHELMNAMAPK1SMN1; SMN2

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-5135955-A Anticoagulants or antifungal activity ELI LILLY AND COMPANY (US) 1992-08-04 US disclosed