SCHEMBL28065277

SCHEMBL28065277

O=c1occcc1-c1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.45
ESR1 P03372 6/20 0.45
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 2/20 0.45
GAPDH P04406 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ABL1 P00519 2/20 0.44
ABCB1 P08183 2/20 0.44
BCR P11274 1/20 0.44
MAOB P27338 3/20 0.41
AKR1B10 O60218 2/20 0.41
LMNA P02545 2/20 0.41
TTR P02766 2/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41

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
SCHEMBL812897 0.81 CTRC (0.48) ALDH1A1HPGDRAB9AL3MBTL1MAOB
SCHEMBL2287130 0.79 APP (0.57) MAPTADORA2AADORA1ADORA3XDH
SCHEMBL2398844 0.79 KEAP1 (0.44) NPC1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL6689631 0.78 GSTP1 (0.48) NPC1ALDH1A1HPGDRAB9ASMN1; SMN2
Naphthalene SCHEMBL29025700 0.76 KDM4E (0.46) NPC1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL9047747 0.76 PIK3R1 (0.42) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL2396285 0.74 KMT2A (0.54) NPC1ALDH1A1RAB9ASMN1; SMN2GAA
SCHEMBL1649339 0.70 ABL1 (0.76) ESR2ESR1NPC1ALDH1A1HPGD
SCHEMBL4432976 0.70 ABL1 (0.76) ESR2ESR1NPC1ALDH1A1HPGD
Hydroquinone SCHEMBL11057948 0.70 CA1 (0.76) ESR2ESR1NPC1ALDH1A1HPGD

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-107828071-A A kind of plastics covering of the fan with flame retardant coating 苏州梅香雅筑工艺品有限公司 2018-03-23 CN claimed
CN-104212155-B A kind of preparation method of halogen-free fire retardation thermoplastic polyurethane JIANGSU HUAHONG INDUSTRIAL GROUP CO., LTD. (CN) 2016-05-11 CN disclosed
CN-104212156-B A kind of halogen-free fire retardation thermoplastic polyurethane JIANGSU HUAHONG INDUSTRIAL GROUP CO., LTD. (CN) 2016-05-11 CN disclosed