SCHEMBL28059560

SCHEMBL28059560

CC(O)c1ccc(O)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.43
KDM4E B2RXH2 7/20 0.43
MAPT P10636 7/20 0.43
RECQL P46063 5/20 0.43
MTOR P42345 4/20 0.43
TSHR P16473 4/20 0.43
HSD17B10 Q99714 4/20 0.43
HIF1A Q16665 4/20 0.43
LMNA P02545 3/20 0.43
KMT2A Q03164 3/20 0.43
NFKB1 P19838 2/20 0.43
POLB P06746 2/20 0.43
BLM P54132 2/20 0.43
ALOX15 P16050 1/20 0.43
THPO P40225 1/20 0.43
APEX1 P27695 1/20 0.43
UGT2B7 P16662 1/20 0.41
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
ADRB2 P07550 4/20 0.39

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
SCHEMBL11750966 0.86 ALDH1A1 (0.52) TDP1KDM4EMAPTHSD17B10HIF1A
SCHEMBL16648551 0.86 ESR1 (0.41) TDP1KDM4EMAPTRECQLMTOR
SCHEMBL30708493 0.86 ESR1 (0.41) TDP1KDM4EMAPTRECQLMTOR
SCHEMBL5609726 0.84 UGT2B7 (0.44) UGT2B7CYP2C19AKR1C3AKR1C2
SCHEMBL11588725 0.82 ALDH1A1 (0.55) TDP1KDM4EMAPTRECQLMTOR
SCHEMBL3309320 0.81 RXRA (0.43) UGT2B7AKR1C3AKR1C2
SCHEMBL31085167 0.81 UGT2B7 (0.41) LMNAUGT2B7TAS2R14AKR1C3AKR1C2
SCHEMBL17025358 0.81 UGT2B7 (0.41) LMNAUGT2B7TAS2R14AKR1C3AKR1C2
SCHEMBL31085127 0.81 RXRA (0.43) UGT2B7AKR1C3AKR1C2
SCHEMBL28853162 0.80 AKR1C3 (0.48) HSD17B1HSD17B2AKR1C3AKR1C2

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
CN-108440515-A Substituted benzofuranyl and benzoxazole based compound and application thereof 卡尔约药物治疗公司 2018-08-24 CN disclosed
CN-105492437-B Substituted benzofuranyl and benzoxazolyl compounds and uses thereof 卡尔约药物治疗公司 2018-05-11 CN disclosed
CN-105492437-A Substituted benzofuranyl and benzoxazolyl compounds and uses thereof KARYOPHARM THERAPEUTICS INC 2016-04-13 CN disclosed