SCHEMBL8894580

SCHEMBL8894580

CCC[CH]C(=O)OC(CC)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.40
LMNA P02545 5/20 0.38
ALDH1A1 P00352 4/20 0.37
TSHR P16473 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
KLK7 P49862 1/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
PABPC1 P11940 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MDM4 O15151 1/20 0.36
MAPT P10636 1/20 0.36
MDM2 Q00987 1/20 0.36
ALKBH1 Q13686 1/20 0.36

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
SCHEMBL8897426 0.89 CYP1A2 (0.39) HCAR2LMNAALDH1A1TSHRCYP1A2
SCHEMBL8896106 0.88 NAAA (0.42) LMNAALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL3482805 0.83 HCAR2 (0.56) HCAR2LMNAALDH1A1KLK7POLB
SCHEMBL3482702 0.83 HCAR2 (0.56) HCAR2LMNAALDH1A1KLK7POLB
SCHEMBL8894006 0.83 HCAR2 (0.59) HCAR2ALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL8895848 0.82 HCAR2 (0.42) HCAR2LMNAALDH1A1KLK7POLB
SCHEMBL1371364 0.81 THRB (0.41) HCAR2LMNAALDH1A1KLK7POLB
SCHEMBL8895942 0.80 ALDH1A1 (0.39) LMNAALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL3482642 0.79 HCAR2 (0.64) HCAR2LMNAALDH1A1TSHRCYP3A4
SCHEMBL17844649 0.79 THRB (0.41) HCAR2LMNAALDH1A1KLK7POLB

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-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed