SCHEMBL9736396

SCHEMBL9736396

OC1(OCCOc2ccccc2)CCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.49
ALDH1A1 P00352 3/20 0.47
RECQL P46063 1/20 0.47
KCNA3 P22001 1/20 0.47
DRD4 P21917 3/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
TAAR1 Q96RJ0 1/20 0.42
PARP10 Q53GL7 1/20 0.42
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1B P35368 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 2/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL13908147 0.76 KCNA3 (0.48) PKMALDH1A1RECQLKCNA3DRD4
SCHEMBL27962 0.73 KCNA3 (0.82) PKMALDH1A1RECQLKCNA3DRD4
SCHEMBL15142892 0.72 KCNA3 (0.44) PKMALDH1A1RECQLKCNA3DRD4
SCHEMBL13908167 0.72 KCNA3 (0.44) PKMALDH1A1RECQLKCNA3DRD4
SCHEMBL13908165 0.72 KCNA3 (0.44) PKMALDH1A1RECQLKCNA3DRD4
SCHEMBL5139043 0.72 TSHR (0.43) ALDH1A1MEN1KMT2A
SCHEMBL9720395 0.71 CA1 (0.41) MEN1KMT2A
SCHEMBL9146815 0.70 KCNA3 (0.50) ALDH1A1RECQLKCNA3DRD4DRD2
SCHEMBL8612714 0.70 KMT2A (0.60) ALDH1A1RECQLMEN1KMT2ASMN1; SMN2
SCHEMBL15150190 0.70 TAAR1 (0.42) PKMALDH1A1RECQLKCNA3DRD4

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-0502074-A1 CONTACT LENS DISINFECTING SYSTEM SCHERING CORPORATION (US) 1992-09-09 EP disclosed
WO-1991007192-A1 CONTACT LENS DISINFECTING SYSTEM SCHERING CORPORATION (US) 1991-05-30 WO disclosed