SCHEMBL5280680

SCHEMBL5280680

CCC(C)(C)c1ccc(OCC(=O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.72
ALOX15 P16050 1/20 0.53
ALDH1A1 P00352 2/20 0.53
TSHR P16473 1/20 0.53
EPHX2 P34913 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
CYP2C9 P11712 1/20 0.51
RAB9A P51151 1/20 0.51
HRH3 Q9Y5N1 8/20 0.51

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
Formaldehyde SCHEMBL28601401 0.97 SMN1; SMN2 (0.68) SMN1; SMN2ALOX15ALDH1A1TSHREPHX2
SCHEMBL6699973 0.85 SMN1; SMN2 (0.70) SMN1; SMN2ALOX15ALDH1A1EPHX2NR1H4
SCHEMBL8017456 0.85 SMN1; SMN2 (0.51) SMN1; SMN2NPC1POLBCYP2C9RAB9A
SCHEMBL8042635 0.85 NPC1 (0.51) SMN1; SMN2NPC1POLBCYP2C9RAB9A
SCHEMBL1283871 0.84 SMN1; SMN2 (1.00) SMN1; SMN2ALOX15ALDH1A1TSHREPHX2
SCHEMBL3389094 0.84 SMN1; SMN2 (0.79) SMN1; SMN2ALOX15ALDH1A1TSHREPHX2
SCHEMBL1507692 0.84 SMN1; SMN2 (0.79) SMN1; SMN2ALOX15ALDH1A1TSHREPHX2
Ammonia Solution, Strong SCHEMBL28429402 0.82 SMN1; SMN2 (0.96) SMN1; SMN2ALOX15ALDH1A1TSHREPHX2
Hydrochloric Acid SCHEMBL4640626 0.82 SMN1; SMN2 (0.96) SMN1; SMN2ALOX15ALDH1A1TSHREPHX2
SCHEMBL12995868 0.82 SMN1; SMN2 (0.49) SMN1; SMN2NPC1POLBCYP2C9RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113201649-B Phenoxy carboxylic acid solid-phase extracting agent, and preparation method and application thereof 福建省长汀金龙稀土有限公司 2023-04-11 CN disclosed
CN-113493874-B Method for purifying high-purity scandium salt 福建省长汀金龙稀土有限公司 2022-12-13 CN disclosed
CN-113493874-A Method for purifying high-purity scandium salt 厦门钨业股份有限公司 2021-10-12 CN disclosed
EP-1857440-A1 Novel compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same Amorepacific Corporation (KR) 2007-11-21 EP disclosed
US-4324898-A YELLOW COUPLER CIBA GEIGY AG (CH) 1982-04-13 US disclosed
US-4229577-A IMPROVED REACTIVITY, MINIMAL FOG, HIGH FASTNESS TO LIGHT CIBA-GEIGY AG (CH) 1980-10-21 US disclosed
US-4206278-A SILVER HALIDE, HETEROCYCLIC YELLOW COUPLER CIBA-GEIGY AG (CH) 1980-06-03 US disclosed
US-4115121-A TWO-EQUIVALENT BENZOYLACETANILIDE METHYLENE COUPLERS CIBA-GEIGY AG (CH) 1978-09-19 US disclosed