SCHEMBL9737637

SCHEMBL9737637

COC(=O)/C=C/C(C)=C/CC1=C(C)CCCC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
MAPT P10636 8/20 0.42
CYP3A4 P08684 4/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
HAO1 Q9UJM8 1/20 0.40
MAPK1 P28482 3/20 0.39
MEN1 O00255 2/20 0.39
APP P05067 2/20 0.39
ALOX15 P16050 2/20 0.39
SNCA P37840 2/20 0.39
KMT2A Q03164 2/20 0.39
NR1I2 O75469 1/20 0.39
USP2 O75604 1/20 0.39
RBP4 P02753 1/20 0.39
TSHR P16473 1/20 0.39
RARB P10826 6/20 0.39

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
SCHEMBL9737640 1.00 ALDH1A1 (0.42) ALDH1A1MAPTCYP3A4HSD17B10HPGD
SCHEMBL26967412 0.87 ALDH1A1 (0.43) ALDH1A1MAPTCYP3A4HSD17B10HPGD
SCHEMBL9016198 0.85 CYP1A2 (0.51) ALDH1A1MAPTCYP3A4HSD17B10HPGD
SCHEMBL9016196 0.85 CYP1A2 (0.51) ALDH1A1MAPTCYP3A4HSD17B10HPGD
SCHEMBL9182001 0.80 ALDH1A1 (0.49) ALDH1A1MAPTCYP3A4HSD17B10HPGD
SCHEMBL9209859 0.80 ALDH1A1 (0.49) ALDH1A1MAPTCYP3A4HSD17B10HPGD
SCHEMBL9187020 0.80 ALDH1A1 (0.49) ALDH1A1MAPTCYP3A4HSD17B10HPGD
SCHEMBL110933 0.79 RARB (0.41) ALDH1A1MAPTCYP3A4HSD17B10HPGD
SCHEMBL113634 0.79 RARB (0.41) ALDH1A1MAPTCYP3A4HSD17B10HPGD
SCHEMBL9216136 0.79 ALDH1A1 (0.48) ALDH1A1MAPTCYP3A4HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155239-A Preparation of polycyclic ethers FIRMENICH S.A. (CH) 1992-10-13 US disclosed
US-5155238-A Acidic cyclization of polyunsaturated, acyclic alcohol or protected alcohol; stereospecific; organoleptic FIRMENICH S.A. (CH) 1992-10-13 US disclosed
US-5077417-A Acidifying, cyclizing a polyunsaturated alicyclic alcohol or protected hydroxy group FIRMENICH SA (CH) 1991-12-31 US disclosed