SCHEMBL5847201

SCHEMBL5847201

O=C(O)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.55
TTR P02766 1/20 0.55
SRD5A2 P31213 2/20 0.54
PTPRC P08575 2/20 0.53
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
SRD5A1 P18405 1/20 0.50
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CHEK1 O14757 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL31146728 1.00 PDK2 (0.55) PDK2TTRSRD5A2PTPRCPOLB
SCHEMBL31151124 1.00 PDK2 (0.55) PDK2TTRSRD5A2PTPRCPOLB
SCHEMBL2456262 1.00 PDK2 (0.55) PDK2TTRSRD5A2PTPRCPOLB
SCHEMBL5846670 1.00 PDK2 (0.55) PDK2TTRSRD5A2PTPRCPOLB
Hydrochloric Acid SCHEMBL5846911 0.98 PDK2 (0.54) PDK2TTRSRD5A2PTPRCPOLB
SCHEMBL29823550 0.92 PDK2 (0.49) PDK2TTRSRD5A2PTPRCPOLB
SCHEMBL29824042 0.92 PDK2 (0.49) PDK2TTRSRD5A2PTPRCPOLB
SCHEMBL28874569 0.92 PDK2 (0.49) PDK2TTRSRD5A2PTPRCPOLB
SCHEMBL31242361 0.91 PDK2 (0.51) PDK2TTRSRD5A2PTPRCPOLB
SCHEMBL18419410 0.91 PDK2 (0.51) PDK2TTRSRD5A2PTPRCPOLB

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
US-7088757-B1 Use of spiro compounds as laser dyes SEMICONDUCTORS GMBH (DE) 2006-08-08 US disclosed
US-6187224-B1 ORGANIC SPIRO COMPOUNDS WHICH COMPRISE A CONJUGATED SYSTEM AXIVA GMBH (DE) 2001-02-13 US disclosed
EP-1053578-A1 USE OF SPIRO COMPOUNDS AS LASER DYES Axiva GmbH (DE) 2000-11-22 EP disclosed
WO-1999040655-A1 USE OF SPIRO COMPOUNDS AS LASER DYES AXIVA GMBH (DE) 1999-08-12 WO disclosed
US-5840217-A LIGHT-EMITTING, CHARGE-TRANSPORT, CHARGE-INJECTION MATERIALS HOECHST AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed