SCHEMBL29935002

SCHEMBL29935002

OCc1cc(-c2ccccc2)ccn1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.47
PRKCI P41743 1/20 0.47
NOTUM Q6P988 3/20 0.46
PIK3CA P42336 1/20 0.44
FDPS P14324 1/20 0.41
EGFR P00533 1/20 0.41
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
SREBF2 Q12772 1/20 0.41
BUB1 O43683 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
COMT P21964 1/20 0.39
WNT3A P56704 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL3711754 1.00 PLAU (0.47) PLAUPRKCINOTUMPIK3CAFDPS
SCHEMBL30504670 0.86 PRKCI (0.53) PRKCINOTUMPIK3CAEGFRCSNK1D
SCHEMBL19996096 0.86 PRKCI (0.53) PRKCINOTUMPIK3CAEGFRCSNK1D
SCHEMBL211823 0.81 CSNK1D (0.40) PLAUPRKCICSNK1DCSNK1EBUB1
SCHEMBL14291396 0.81 SREBF2 (0.47) PRKCINOTUMFDPSCSNK1DCSNK1E
SCHEMBL13239038 0.81 CSNK1D (0.59) PRKCICSNK1DCSNK1ESREBF2S1PR1
SCHEMBL8257156 0.80 SREBF2 (0.48) PLAUNOTUMPIK3CAFDPSSREBF2
SCHEMBL2111804 0.80 PLAU (0.47) PLAUNOTUMPIK3CAFDPSEGFR
SCHEMBL7387315 0.80 PLAU (0.43) PLAUNOTUMPIK3CAFDPSEGFR
SCHEMBL19996104 0.79 KDM4E (0.45) PIK3CACSNK1DCSNK1ECOMTNPC1

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
CN-115074260-B Kluyveromyces thermotolerans mutant strain and method for preparing (S) - (4-chlorophenyl) - (pyridin-2-yl) -methanol 三峡大学 2024-12-17 CN disclosed
CN-115074260-A Kluyveromyces thermotolerans mutant strain and method for preparing (S) - (4-chlorphenyl) - (pyridine-2-yl) -methanol 三峡大学 2022-09-20 CN disclosed