SCHEMBL31033482

SCHEMBL31033482

C=C(C)/C=C/CC(C)CCCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CMKLR1 Q99788 1/20 0.37
LTB4R Q15722 2/20 0.35
MAPT P10636 3/20 0.35
ABCC4 O15439 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ENPEP Q07075 2/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33

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
SCHEMBL22781300 0.83 ALDH1A1 (0.43) ALDH1A1LMNACYP3A4TDP1CMKLR1
SCHEMBL11665762 0.75 ALDH1A1 (0.45) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11665764 0.75 ALDH1A1 (0.45) ALDH1A1LMNACYP3A4TDP1
SCHEMBL7782877 0.74 ALDH1A1 (0.41) ALDH1A1LMNACYP3A4TDP1ALOX15
SCHEMBL7782876 0.74 ALDH1A1 (0.41) ALDH1A1LMNACYP3A4TDP1ALOX15
SCHEMBL28964442 0.74 MAPT (0.41) LMNAMAPTFFAR1FFAR4ENPEP
SCHEMBL1682647 0.74 LMNA (0.40) LMNACMKLR1MAPTFFAR1FFAR4
SCHEMBL6135683 0.73 ALOX15 (0.50) ALDH1A1LMNACYP3A4TDP1MAPT
SCHEMBL6135686 0.73 ALOX15 (0.50) ALDH1A1LMNACYP3A4TDP1MAPT
SCHEMBL14360701 0.73 LMNA (0.53) ALDH1A1LMNATDP1MAPTENPEP

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
EP-4168383-B1 PROCESS FOR MAKING A CONJUGATED DIENE FROM AN ALLYL ALCOHOL GIVAUDAN SA (CH) 2024-07-31 EP claimed