SCHEMBL7994867

SCHEMBL7994867

O=C(O)C1C2C=CC(C2)C1CCCO

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
APEX1 P27695 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
CASP6 P55212 1/20 0.35

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
SCHEMBL7872651 0.86 POLB (0.55) ALDH1A1CYP2C19POLBTDP1APEX1
SCHEMBL13346662 0.83 ALDH1A1 (0.42) ALDH1A1CYP2C19POLBTDP1APEX1
SCHEMBL6308224 0.81 POLB (0.46) ALDH1A1CYP2C19POLBTDP1APEX1
SCHEMBL6308227 0.81 POLB (0.46) ALDH1A1CYP2C19POLBTDP1APEX1
SCHEMBL11731346 0.80 USP2 (0.41) USP2TSHRHTTHSD17B10
SCHEMBL11937856 0.80 POLB (0.45) ALDH1A1CYP2C19POLBTDP1APEX1
Ethylene Glycol SCHEMBL11515676 0.78 POLB (0.58) ALDH1A1POLBTDP1APEX1SMN1; SMN2
SCHEMBL13370675 0.77 USP2 (0.39) USP2TSHRHTTHSD17B10
SCHEMBL773748 0.76 ALDH1A1 (0.53) ALDH1A1CYP2C19POLBTDP1APEX1
SCHEMBL31483477 0.76 POLB (0.67) ALDH1A1CYP2C19POLBTDP1APEX1

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-6291131-B1 ADDITION POLYMERIZATION OF MONOMERS TO FORM PHOTORESISTS COPOLYMER HYUNDAI ELECTRONICS INDUSTRIES CO., LTD. (KR) 2001-09-18 US disclosed