Sugi Predict

Sugi Predict / Compounds / SCHEMBL9752437

SCHEMBL9752437

SCHEMBL9752437

C=CCCCOOC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ LPAR3 Q9UBY5 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ LPAR2 Q9HBW0 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL7936182 0.93 TSHR (0.39) TSHRALDH1A1LPAR3LMNALPAR2
SCHEMBL9752475 0.86 TSHR (0.33) TSHRALDH1A1TDP1
SCHEMBL9752692 0.81 TSHR (0.39) TSHRALDH1A1LPAR3LPAR2TDP1
SCHEMBL3073380 0.77 TSHR (0.44) TSHRTDP1
SCHEMBL27455313 0.77 TSHR (0.44) TSHRTDP1
SCHEMBL12403539 0.76 TSHR (0.42) TSHRALDH1A1LPAR3LMNALPAR2
SCHEMBL9752484 0.75 TSHR (0.40) TSHRALDH1A1LPAR3LMNALPAR2
SCHEMBL28506947 0.75 TSHR (0.41) TSHRTDP1
SCHEMBL2402139 0.75 TSHR (0.41) TSHRTDP1
SCHEMBL1682418 0.75 TSHR (0.41) TSHRTDP1

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
WO-1991000300-A1 (CO)POLYMER MODIFICATION EMPLOYING UNSATURATED t-ALKYL PEROXY ALKENES AKZO N.V. (NL) 1991-01-10 — — WO claimed
WO-1991000300-A1 (CO)POLYMER MODIFICATION EMPLOYING UNSATURATED t-ALKYL PEROXY ALKENES AKZO N.V. (NL) 1991-01-10 — — WO disclosed