SCHEMBL13521990

SCHEMBL13521990

CC(C)(C)c1ccc(C(Cl)(c2ccccc2)c2ccccc2Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.48
HSD11B1 P28845 2/20 0.45
RAB9A P51151 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GLA P06280 2/20 0.41
NPC1 O15118 2/20 0.41
ATM Q13315 1/20 0.41
TSHR P16473 3/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
OPRK1 P41145 2/20 0.41
KCNH2 Q12809 2/20 0.41
ADRA1A P35348 1/20 0.41
KCNA3 P22001 2/20 0.38
CYP3A4 P08684 3/20 0.37
MAPT P10636 3/20 0.37
CYP19A1 P11511 3/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 2/20 0.37

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
SCHEMBL26214 0.88 KCNN4 (0.59) KCNN4RAB9AL3MBTL1ALDH1A1GLA
SCHEMBL3239466 0.88 KCNN4 (0.59) KCNN4RAB9AL3MBTL1ALDH1A1GLA
SCHEMBL29354141 0.88 KCNN4 (0.59) KCNN4RAB9AL3MBTL1ALDH1A1GLA
Chlorotriphenylmethane SCHEMBL27733223 0.86 KCNN4 (0.57) KCNN4RAB9AL3MBTL1ALDH1A1GLA
Hydrochloric Acid SCHEMBL29532967 0.86 KCNN4 (0.57) KCNN4RAB9AL3MBTL1ALDH1A1GLA
SCHEMBL4118202 0.85 KCNN4 (0.48) KCNN4RAB9AL3MBTL1ALDH1A1GLA
Hydrazine SCHEMBL26109949 0.84 KCNN4 (0.61) KCNN4RAB9AL3MBTL1GLATSHR
SCHEMBL11654993 0.84 KCNN4 (0.59) KCNN4RAB9AL3MBTL1ALDH1A1GLA
Toluene SCHEMBL28713609 0.83 KCNN4 (0.50) KCNN4HSD11B1RAB9AL3MBTL1GLA
SCHEMBL15982288 0.82 KCNN4 (0.46) KCNN4RAB9AL3MBTL1ALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303908-B1 FLUORESCENT CYCLIC PEPTIDES, METHODS FOR THE PREPARATION THEREOF, AND USE OF SAID PEPTIDES FOR MEASURING THE ENZYMATIC ACTIVITY OF A PROTEASE ENZYME COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-07-26 EP disclosed
US-9598714-B2 Side-chain protected oligopeptide fragment condensation using subtilisins in organic solvents ENZYPEP B.V. (NL) 2017-03-21 US disclosed
US-9598714-B2 Side-chain protected oligopeptide fragment condensation using subtilisins in organic solvents ENZYPEP B.V. (NL) 2017-03-21 US disclosed
US-20150037840-A1 SIDE-CHAIN PROTECTED OLIGOPEPTIDE FRAGMENT CONDENSATION USING SUBTILISINS IN ORGANIC SOLVENTS ENZYPEP B.V. (NL) 2015-02-05 US disclosed
WO-2010000591-A2 FLUORESCENT CYCLIC PEPTIDES, METHODS FOR THE PREPARATION THEREOF, AND USE OF SAID PEPTIDES FOR MEASURING THE ENZYMATIC ACTIVITY OF A PROTEASE ENZYME COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-01-07 WO disclosed