SCHEMBL28374724

SCHEMBL28374724

O=C(c1ccc(Oc2ccc(F)cc2)cc1O)c1ccc(Oc2ccc(F)cc2)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ MAOB P27338 3/20 0.51
▸ MAOA P21397 2/20 0.51
▸ XDH P47989 1/20 0.51
▸ LMNA P02545 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ PGR P06401 2/20 0.50
▸ SLC6A2 P23975 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ADORA3 P0DMS8 1/20 0.50
▸ AR P10275 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ TBXA2R P21731 1/20 0.50
▸ ADRA1A P35348 1/20 0.50

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
SCHEMBL24407665 0.88 XDH (0.64) NPC1RAB9AMAOBMAOAXDH
SCHEMBL28370725 0.86 NPC1 (0.49) NPC1RAB9AMAOBMAOAXDH
SCHEMBL11349079 0.79 HPGD (0.69) NPC1RAB9AXDHLMNAHPGD
SCHEMBL3638432 0.77 HPGD (0.72) NPC1RAB9AMAOBMAOALMNA
SCHEMBL524088 0.76 POLB (0.63) XDHLMNAKMT2APOLBALDH1A1
SCHEMBL337469 0.76 HPGD (0.71) NPC1RAB9ALMNAHPGDMAPT
SCHEMBL490044 0.76 RAB9A (0.73) NPC1RAB9ALMNAHPGDMAPT
SCHEMBL21274783 0.75 MAOB (0.51) MAOBXDHPOLB
SCHEMBL14213143 0.75 ALDH1A1 (0.65) NPC1RAB9AXDHLMNAHPGD
SCHEMBL5845757 0.75 MEN1 (0.70) NPC1RAB9ALMNAHPGDMAPT

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-110791833-B Polyimide fiber and preparation method thereof 中国科学院长春应用化学研究所 2021-02-05 — — CN disclosed
CN-110791833-A Polyimide fiber and preparation method thereof 中国科学院长春应用化学研究所 2020-02-14 — — CN disclosed
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