SCHEMBL9587131

SCHEMBL9587131

C[SiH](C)C1CCCCC1(C(=O)N[Ti])C1c2ccccc2-c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.33
SLC6A3 Q01959 2/20 0.33
SLC6A4 P31645 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
TSHR P16473 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
Hydrochloric Acid SCHEMBL4842777 0.87 OPRK1 (0.32) OPRK1SLC6A3SLC6A4KMT2AMAPK1
Hydrochloric Acid SCHEMBL7216864 0.87 OPRK1 (0.32) OPRK1SLC6A3SLC6A4KMT2AMAPK1
SCHEMBL6857281 0.63 TSHR (0.34) SLC6A3SLC6A4KMT2APOLBBCHE
SCHEMBL7204781 0.61
SCHEMBL6440772 0.60
SCHEMBL2321495 0.60
SCHEMBL38651516 0.59 BCHE (0.41) SLC6A3SLC6A4BCHEACHE
SCHEMBL25250940 0.59 SLC6A4 (0.51) SLC6A3SLC6A4KMT2ABCHEACHE
Hydrochloric Acid SCHEMBL5852834 0.58 CYP2C19 (0.41) HDAC3
Hydrochloric Acid SCHEMBL5855672 0.57 CYP2C19 (0.43) KMT2ATSHRHDAC3

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
WO-1993021242-A1 ETHYLENE/BRANCHED OLEFIN COPOLYMERS EXXON CHEMICAL PATENTS INC. (US) 1993-10-28 WO disclosed