SCHEMBL17474642

SCHEMBL17474642

C=CCCC(=O)O.CCC=CC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 5/20 0.50
CYP19A1 P11511 4/20 0.50
OXER1 Q8TDS5 4/20 0.50
PPARG P37231 3/20 0.50
RXRA P19793 2/20 0.50
FFAR1 O14842 2/20 0.50
ABCC4 O15439 1/20 0.48
F7 P08709 3/20 0.43
F3 P13726 3/20 0.43
PPARA Q07869 3/20 0.43
PTGS1 P23219 3/20 0.43
KMT2A Q03164 2/20 0.43
PPARD Q03181 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
LMNA P02545 2/20 0.41
ALOX15 P16050 2/20 0.41
RECQL P46063 2/20 0.41
BLM P54132 2/20 0.41
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL17474641 1.00 MAPT (0.50) MAPTALDH1A1CYP19A1OXER1PPARG
SCHEMBL27365510 0.92 ALDH1A1 (0.43) MAPTALDH1A1CYP19A1OXER1PPARG
Crotonic Acid SCHEMBL28077513 0.80 MAPT (0.52) MAPTALDH1A1CYP19A1OXER1PPARG
Butadiene SCHEMBL16290288 0.79 TSHR (0.44) MAPTALDH1A1CYP19A1OXER1PPARG
Butadiene SCHEMBL16290286 0.79 TSHR (0.44) MAPTALDH1A1CYP19A1OXER1PPARG
SCHEMBL31609 0.78
SCHEMBL115342 0.78
SCHEMBL193238 0.78
SCHEMBL5077461 0.78
SCHEMBL19358959 0.77 TSHR (0.57) MAPTALDH1A1CYP19A1OXER1PPARG

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791342-B1 MODIFIED MICROORGANISMS AND METHODS OF MAKING BUTADIENE USING SAME BRASKEM SA (BR) 2020-04-29 EP disclosed
US-10273505-B2 Modified microorganisms and methods of making butadiene using same BRASKEM S.A. (BR) 2019-04-30 US disclosed
US-20180346936-A1 MODIFIED MICROORGANISMS AND METHODS OF MAKING BUTADIENE USING SAME BRASKEM S.A. (BR) 2018-12-06 US disclosed
US-10059963-B2 Modified microorganisms and methods of making butadiene using same BRASKEM S.A. (BR) 2018-08-28 US disclosed
US-20160032325-A1 MODIFIED MICROORGANISMS AND METHODS OF MAKING BUTADIENE USING SAME BRASKEM S.A. (BR) 2016-02-04 US disclosed