SCHEMBL29885271

SCHEMBL29885271

COC(C)(C)C/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C=O)\C=C\C=C(C)\C=C\C=C(C)\C=C\CC(C)(C)OC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 2/20 0.34
RECQL P46063 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
PTGS1 P23219 1/20 0.33
NR1I2 O75469 1/20 0.30
LMNA P02545 1/20 0.30
PGR P06401 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL504505 0.88 ALDH1A1 (0.39) ALDH1A1TDP1KDM4EMAPTALOX15
SCHEMBL504504 0.88 ALDH1A1 (0.39) ALDH1A1TDP1KDM4EMAPTALOX15
SCHEMBL2832502 0.87 NR1I2 (0.54) ALDH1A1NR1I2LMNAPGR
SCHEMBL22117353 0.82 ALDH1A1 (0.35) ALDH1A1TDP1KDM4EMAPTALOX15
SCHEMBL31571695 0.79 ALDH1A1 (0.40) ALDH1A1TDP1KDM4EMAPTALOX15
SCHEMBL2833684 0.79 LMNA (0.39) ALDH1A1TDP1KDM4EMAPTALOX15
SCHEMBL30099895 0.78 ALOX15 (0.52) ALDH1A1TDP1KDM4EMAPTALOX15
SCHEMBL2831023 0.76 PTGS1 (0.40) ALDH1A1TDP1KDM4EMAPTALOX15
SCHEMBL2837930 0.75 LMNA (0.41) ALDH1A1TDP1KDM4EMAPTNR1I2
SCHEMBL2840811 0.74 NR1I2 (0.66) ALDH1A1ALOX15NR1I2LMNAPGR

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
US-11421223-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2022-08-23 US disclosed