SCHEMBL21752976

SCHEMBL21752976

COCCc1ccc(Oc2ccc(C(=O)N(C)O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
ACACB O00763 1/20 0.48
ACACA Q13085 1/20 0.48
LPAR1 Q92633 2/20 0.46
LPAR5 Q9H1C0 2/20 0.46
ALOX5 P09917 1/20 0.46
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MMP13 P45452 1/20 0.42
ATM Q13315 1/20 0.42
SRD5A2 P31213 1/20 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
SCHEMBL21752972 0.81 SRD5A2 (0.58) SMN1; SMN2ALDH1A1ACACBACACALPAR1
SCHEMBL28577474 0.79 ACACB (0.53) ACACBACACA
SCHEMBL9878124 0.76 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL10638440 0.76 ALOX5 (0.51) ALDH1A1ALOX5MAPTMEN1KMT2A
SCHEMBL21628655 0.74 ALDH1A1 (0.71) SMN1; SMN2ALDH1A1HPGDACACBACACA
SCHEMBL12926295 0.73 MAPT (0.55) SMN1; SMN2NPC1MAPTRAB9AKMT2A
SCHEMBL12926296 0.73 MAPT (0.55) SMN1; SMN2NPC1MAPTRAB9AKMT2A
SCHEMBL12926317 0.73 MAPT (0.55) SMN1; SMN2NPC1MAPTRAB9AKMT2A
SCHEMBL9508209 0.72 FFAR1 (0.58) ALOX5NPC1RAB9AMEN1KMT2A
SCHEMBL6467241 0.72 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1NPC1MAPTRAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954697-A Aromatic molecules for the treatment of pathological conditions 赛尼欧普罗有限责任公司 2025-05-09 CN disclosed
CN-119930483-A Aromatic molecules for the treatment of pathological conditions 赛尼欧普罗有限责任公司 2025-05-06 CN disclosed
CN-118290322-A Aromatic molecules for the treatment of pathological conditions 赛尼欧普罗有限责任公司 2024-07-05 CN disclosed
EP-3840834-A2 AROMATIC MOLECULES FOR USE IN THE TREATMENT OF PATHOLOGICAL CONDITIONS Xeniopro GmbH (DE) 2021-06-30 EP disclosed
CN-112888479-A Aromatic molecules for the treatment of pathological conditions 赛尼欧普罗有限责任公司 2021-06-01 CN disclosed
WO-2020039088-A2 NOVEL COMPOUNDS Xeniopro GmbH (DE) 2020-02-27 WO disclosed
WO-2020039088-A2 NOVEL COMPOUNDS Xeniopro GmbH (DE) 2020-02-27 WO disclosed