SCHEMBL7874535

SCHEMBL7874535

C1CCC([PH](C2CCCCC2)(C2CCCCC2)C2CCCCC2)CC1.OB(O)Oc1cccc2ccc3cc4ccccc4cc3c12

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EPHX1 P07099 2/20 0.31
FAAH O00519 1/20 0.31
ERBB2 P04626 1/20 0.31
CYP1A2 P05177 1/20 0.31
FYN P06241 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
AHR P35869 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
SCHEMBL7872954 0.91 RAB9A (0.31) MEN1RAB9AKMT2AL3MBTL1EPHX1
SCHEMBL7639415 0.89
SCHEMBL7877274 0.88 EPHX1 (0.31) EPHX1
SCHEMBL7639445 0.87
SCHEMBL1236123 0.86 EPHX1 (0.38) MEN1RAB9AKMT2AL3MBTL1EPHX1
SCHEMBL19259375 0.84 CYP1A2 (0.41) MEN1RAB9AKMT2AERBB2CYP1A2
SCHEMBL7865540 0.84 BCHE (0.31) ACHE
SCHEMBL911163 0.83 CYP1A2 (0.40) MEN1RAB9AKMT2AERBB2CYP1A2
Hydrogen Sulfide SCHEMBL17372873 0.83 CYP1A2 (0.40) MEN1RAB9AKMT2AERBB2CYP1A2
Phosphine SCHEMBL3288817 0.83 CYP1A2 (0.40) MEN1RAB9AKMT2AERBB2CYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316575-B1 MELT TRANSESTERIFICATION OF DIOL COMPOUND AND CARBOANTE COMPOUND USING CATALYST COMPRISING A PHOSPHORUS-CONTAINING BASIC COMPOUND QUATERNARY PHOSPHONIUM SALT TO FORM POLYCARBONATE IDEMITSU KOSAN CO., LTD. (JP) 2001-11-13 US claimed