SCHEMBL6316629

SCHEMBL6316629

COC(=O)C1C=CC=CC1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
PPM1B O75688 1/20 0.34
PTPN1 P18031 1/20 0.34
PPP1CC P36873 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.30
ITGA4 P13612 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
SCHEMBL7745297 0.91 ALDH1A1 (0.34) POLBPPM1BPTPN1PPP1CCCYP3A4
SCHEMBL7745301 0.91 ALDH1A1 (0.34) POLBPPM1BPTPN1PPP1CCCYP3A4
SCHEMBL28402037 0.91 ALDH1A1 (0.34) POLBPPM1BPTPN1PPP1CCCYP3A4
SCHEMBL6325156 0.91 ALDH1A1 (0.34) POLBPPM1BPTPN1PPP1CCCYP3A4
SCHEMBL156544 0.80 POLB (0.36) POLBCTDSP1TDP1
SCHEMBL11579330 0.80 POLB (0.36) POLBCTDSP1TDP1
SCHEMBL9695864 0.77 POLB (0.35) POLBCTDSP1TDP1
Ammonia Solution, Strong SCHEMBL29216789 0.77 POLB (0.35) POLBCTDSP1TDP1
Ammonia Solution, Strong SCHEMBL29216790 0.77 POLB (0.35) POLBCTDSP1TDP1
Water SCHEMBL27554144 0.77 POLB (0.35) POLBCTDSP1TDP1

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
EP-3305900-B1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2021-07-21 EP disclosed
US-6921830-B2 Method for purifying an organic solvent for the purposes of absorption of maleic acid anhydride BASF AKTIENGESELLSCHAFT (DE) 2005-07-26 US disclosed
US-20040127726-A1 Method for purifying an organic solvent for the purposes of absorption of maleic acid anhydride BASF AKTIENGESELLSCHAFT (DE) 2004-07-01 US disclosed