SCHEMBL8618142

SCHEMBL8618142

CCCCc1cc(C2=Cc3ccccc3[CH]2)c2ccccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.38
MAPT P10636 1/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTPN1 P18031 3/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SCN3A Q9NY46 1/20 0.33
BCHE P06276 1/20 0.33
DHODH Q02127 1/20 0.33
CTSV O60911 1/20 0.32
CTSL P07711 1/20 0.32
PDE10A Q9Y233 1/20 0.32
CNR1 P21554 1/20 0.32
TLR8 Q9NR97 1/20 0.31

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
SCHEMBL6758600 0.86 CYP1A2 (0.40) MAPTLMNAALDH1A1SMN1; SMN2CYP1A2
SCHEMBL5599457 0.75 CYP1A2 (0.47) MAPTALDH1A1CYP1A2TDP1MEN1
SCHEMBL8615237 0.74 CNR2 (0.36) MAPTCNR1TLR8
SCHEMBL8615594 0.74 KDM4E (0.33) MAPTALDH1A1MEN1KMT2A
SCHEMBL8617499 0.74 MEN1 (0.45) MAPTALDH1A1SMN1; SMN2CYP1A2MEN1
Hydrochloric Acid SCHEMBL7783023 0.73 PSMB5 (0.34) PSMB5MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL8156160 0.72 HSD11B1 (0.46) ALDH1A1SMN1; SMN2DHODHCTSVCTSL
SCHEMBL5600175 0.71 METAP2 (0.35) MAPTALDH1A1MEN1KMT2A
SCHEMBL27279895 0.71 TLR8 (0.45) PSMB5MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL8728863 0.70 LMNA (0.42) PSMB5MAPTLMNAALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837866-A1 PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OR THE RACEMATE OF AN ANSA-METALLOCENE COMPLEX OR MIXTURES THEREOF INTO ONE OF ITS ENANTIOMERS BASF AKTIENGESELLSCHAFT (DE) 1998-04-29 EP disclosed
WO-1997003081-A1 PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OR THE RACEMATE OF AN ANSA-METALLOCENE COMPLEX OR MIXTURES THEREOF INTO ONE OF ITS ENANTIOMERS BASF AKTIENGESELLSCHAFT (DE) 1997-01-30 WO disclosed