SCHEMBL6873159

SCHEMBL6873159

C=C(C)Cc1cc(-c2ccc(Cl)cc2)c(C)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ALDH1A1 P00352 5/20 0.36
MAPT P10636 2/20 0.36
NOTUM Q6P988 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 3/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
POLB P06746 3/20 0.33
MEN1 O00255 2/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL10088515 0.82 NOTUM (0.44) ALDH1A1MAPTNOTUMSMN1; SMN2LMNA
SCHEMBL6018650 0.72 ALDH1A1 (0.38) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL10493450 0.68 IKBKB (0.43) ALDH1A1MAPTNOTUMSMN1; SMN2LMNA
SCHEMBL9782634 0.65 NPC1 (0.46) ALDH1A1MAPTLMNAKMT2APOLB
SCHEMBL19297878 0.63 PSEN1 (0.35) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL14089362 0.61 SUCNR1 (0.40) ALDH1A1MAPTSMN1; SMN2KMT2APTGDR2
SCHEMBL16273861 0.61 CYP3A4 (0.41) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL7856358 0.61 MAPK14 (0.40) ALDH1A1MAPTRAB9AKDM4ECYP1A2
Trifluoroacetic Acid SCHEMBL10489622 0.61 IKBKB (0.43) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL24839055 0.60 MAPT (0.43) CASP3SENP8SENP7SENP6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412347-A1 PROCESS FOR THE PREPARATION OF HETEROCYCLIC PENTALENE DERIVATIVES Basell Polyolefine GmbH (DE) 2004-04-28 EP disclosed
WO-2003014107-A1 PROCESS FOR THE PREPARATION OF HETEROCYCLIC PENTALENE DERIVATIVES BASELL POLYOLEFINE GMBH (DE) 2003-02-20 WO disclosed