Sugi Predict

Sugi Predict / Compounds / Propene

Propene

Propene

SCHEMBL6131238

C=CC.CCOCCC(=O)OCC.COCCOC(C)=O.O=C(O)OCCOC(=O)O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ THRB P10828 1/20 0.36
▸ LMNA P02545 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP1A2 P05177 1/20 0.31
▸ CYP4F2 P78329 1/20 0.30
▸ CYP4A11 Q02928 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
Propene SCHEMBL6131234 0.95 ALDH1A1 (0.51) ALDH1A1TSHRTHRBLMNAHSD17B10
Propene SCHEMBL6131231 0.88 ALDH1A1 (0.38) ALDH1A1TSHR
Propene SCHEMBL19714335 0.83 ALDH1A1 (0.68) ALDH1A1TSHRTHRBLMNAHSD17B10
Propene SCHEMBL5146965 0.83 ALDH1A1 (0.41) ALDH1A1TSHRLMNAHSD17B10
Ethyl Acetate SCHEMBL5148148 0.80 ALDH1A1 (0.54) ALDH1A1TSHRTHRBLMNAHSD17B10
SCHEMBL28084236 0.80 CYP1A2 (0.45) ALDH1A1TSHRTHRBLMNAHSD17B10
SCHEMBL9641338 0.79 ALDH1A1 (0.52) ALDH1A1TSHRTHRBLMNAHSD17B10
Propene SCHEMBL5145274 0.78 ALDH1A1 (0.38) ALDH1A1TSHRLMNAHSD17B10
SCHEMBL22028651 0.78 ALDH1A1 (0.70) ALDH1A1TSHRTHRBLMNAHSD17B10
SCHEMBL31299937 0.76 TSHR (0.48) ALDH1A1TSHRTHRBHSD17B10CYP1A2

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-20050079441-A1 Positive resist composition and pattern forming method using the same FUJI PHOTO FILM CO., LTD. 2005-04-14 — — US disclosed