SCHEMBL28548343

SCHEMBL28548343

O=C(c1ccccc1)C1(O)CC(O)C(O)C(O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
FAAH O00519 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
DAO P14920 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
HSD17B10 Q99714 4/20 0.36
AKR1B1 P15121 3/20 0.36
KDM4E B2RXH2 3/20 0.36
AKR1B10 O60218 2/20 0.36
PTPN1 P18031 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC3 O15379 1/20 0.36
APP P05067 1/20 0.36
PTPN2 P17706 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36

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
SCHEMBL10927678 0.80 GBA1 (0.39)
SCHEMBL28433377 0.76 LMNA (0.50) LMNAALDH1A1TSHRCES2CES1
SCHEMBL6698945 0.76 CES1 (0.46) LMNAALDH1A1TSHRCES2CES1
SCHEMBL11341980 0.76 CES1 (0.46) LMNAALDH1A1TSHRCES2CES1
SCHEMBL11247347 0.74 HTR3E (0.51) LMNAHSD17B10CYP2C9
SCHEMBL28544125 0.73 TRPA1 (0.37) LMNAFAAH
SCHEMBL9767728 0.72 CES1 (0.42) LMNAALDH1A1TSHRCES2CES1
SCHEMBL6692163 0.72 AKR1C1 (0.45) LMNAALDH1A1TSHRCES2CES1
SCHEMBL9224136 0.72 FASN (0.45) LMNAALDH1A1TSHRCES2CES1
SCHEMBL9767733 0.72 CES1 (0.42) LMNAALDH1A1TSHRCES2CES1

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
CN-112500660-A Ultraviolet-resistant leather backpack 泉州市信源体育用品有限公司 2021-03-16 CN claimed
CN-112500660-A Ultraviolet-resistant leather backpack 泉州市信源体育用品有限公司 2021-03-16 CN disclosed