SCHEMBL7872954

SCHEMBL7872954

C[PH](C)(C)C1CCCCC1.OB(O)Oc1cccc2ccc3cc4ccccc4cc3c12

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
EPHX1 P07099 2/20 0.30
LMNA P02545 1/20 0.30
FAAH O00519 1/20 0.30
RXRA P19793 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL7874535 0.91 MEN1 (0.32) RAB9AL3MBTL1MEN1KMT2AEPHX1
SCHEMBL7877274 0.88 EPHX1 (0.31) EPHX1
SCHEMBL7639415 0.87
SCHEMBL7639445 0.85
SCHEMBL6740810 0.85 CYP1A2 (0.37) RAB9AMEN1KMT2ARXRAPPARG
SCHEMBL7865540 0.84 BCHE (0.31)
SCHEMBL1236123 0.84 EPHX1 (0.38) RAB9AL3MBTL1MEN1KMT2AEPHX1
SCHEMBL19259375 0.83 CYP1A2 (0.41) RAB9AMEN1KMT2ARXRAPPARG
Hydrogen Sulfide SCHEMBL17372873 0.81 CYP1A2 (0.40) RAB9AMEN1KMT2ARXRAPPARG
Ammonia Solution, Strong SCHEMBL1035827 0.81 CYP1A2 (0.40) RAB9AMEN1KMT2ARXRAPPARG

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