SCHEMBL11525657

SCHEMBL11525657

CCOP(=O)(OCC)c1cc(C)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PKM P14618 1/20 0.40
UHRF1 Q96T88 1/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
POLB P06746 1/20 0.37
FDPS P14324 1/20 0.37
KMT2A Q03164 3/20 0.37
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
MEN1 O00255 2/20 0.37
CYP2A6 P11509 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL5738973 0.81 POLB (0.36) LMNAKDM4ESMN1; SMN2POLBKMT2A
SCHEMBL11524194 0.78 TRPV4 (0.38) POLBKMT2AMEN1
SCHEMBL20993632 0.75 CCR1 (0.44) LMNAKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL11492995 0.75 CA1 (0.44) LMNAKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL20909879 0.74 UHRF1 (0.48) LMNAKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL11526458 0.72 FDPS (0.50) LMNAKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL31722547 0.70 CCNT1 (0.39) KDM4ECCR1CCR5CCR8POLB
SCHEMBL5029134 0.69 POLB (0.51) LMNAKDM4ESMN1; SMN2RAB9APOLB
SCHEMBL23913956 0.69 CCR1 (0.49) LMNAKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL8167854 0.69 FDPS (0.62) LMNAKDM4ESMN1; SMN2NPC1RAB9A

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
US-4163850-A BACTERICIDES FOR WATER TREATMENT PETROLITE CORPORATION (US) 1979-08-07 US disclosed
US-4101654-A BACTERIAL GROWTH INHIBITION PETROLITE CORPORATION (US) 1978-07-18 US disclosed