SCHEMBL9489237

SCHEMBL9489237

OC[C@]1(O)C(c2ccccc2)[C@@]1(O)CO

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
ABCB1 P08183 5/20 0.39
ALDH1A1 P00352 2/20 0.39
PTGS2 P35354 1/20 0.36
CHRNA7 P36544 1/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.33
SLC18A3 Q16572 1/20 0.33
GAA P10253 2/20 0.32
TRPA1 O75762 1/20 0.32
CA2 P00918 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL720618 0.76 ABCB1 (0.37) KDM1AABCB1ALDH1A1HTR2AHTR2C
SCHEMBL10706515 0.76 ABCB1 (0.37) KDM1AABCB1ALDH1A1HTR2AHTR2C
SCHEMBL9679091 0.76 ABCB1 (0.37) KDM1AABCB1ALDH1A1HTR2AHTR2C
SCHEMBL30502406 0.70 ABCB1 (0.42) KDM1AABCB1ALDH1A1CHRNA7GAA
SCHEMBL29045374 0.70 KDM1A (0.35) KDM1AABCB1ALDH1A1PTGS2CHRNA7
SCHEMBL17107218 0.68 KDM1A (0.41) KDM1AABCB1ALDH1A1PTGS2HTR2A
SCHEMBL8588384 0.67 CHRNA7 (0.35) KDM1ACHRNA7TSHRTRPA1CA2
SCHEMBL7398947 0.66 KDM1A (0.39) KDM1AABCB1ALDH1A1PTGS2CHRNA7
SCHEMBL24515969 0.65 KDM1A (0.35) KDM1AABCB1ALDH1A1MAPTTSHR
SCHEMBL3684570 0.62 KDM1A (0.40) KDM1AABCB1ALDH1A1PTGS2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5198322-A Positively operating radiation-sensitive mixture containing a polyfunctional α-diazo-β-keto ester and radiation-sensitive recording material containing this mixture HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-30 US disclosed
US-4996301-A Polyfunctional α-diazo-β-keto esters and their use in light-sensitive compositions HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-26 US disclosed