SCHEMBL9770902

SCHEMBL9770902

CCC(C)OC(=O)Cl.O=C(Cl)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
MIF P14174 1/20 0.43
CYP1A2 P05177 2/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
FFAR1 O14842 1/20 0.38
GAA P10253 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
FAAH O00519 1/20 0.37
ELANE P08246 2/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL27609833 0.82 ELANE (0.41) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL2988211 0.81 MAPT (0.51) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL2981112 0.81 MAPT (0.51) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL1790087 0.81 MAPT (0.51) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL27702602 0.79 ELANE (0.47) MAPTMEN1KMT2AALDH1A1CYP1A2
Propionic Acid SCHEMBL27628944 0.79 ELANE (0.47) MAPTALDH1A1NPC1RAB9AELANE
Methyl Alcohol SCHEMBL28471241 0.78 TDP1 (0.47) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL1148890 0.78
Benzene SCHEMBL7925278 0.78 TDP1 (0.50) MAPTALDH1A1RAB9AELANEATM
SCHEMBL3302 0.78 TDP1 (0.50) MAPTALDH1A1RAB9AELANEATM

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-5061786-A Immunosuppressive agents GENENTECH, INC. (US) 1991-10-29 US disclosed