SCHEMBL21752972

SCHEMBL21752972

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.58
LPAR1 Q92633 3/20 0.53
LPAR5 Q9H1C0 3/20 0.53
ACACB O00763 1/20 0.52
ACACA Q13085 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
PARP15 Q460N3 1/20 0.51
PARP10 Q53GL7 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 1/20 0.51
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
FFAR1 O14842 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
RARB P10826 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL6467241 0.91 ALDH1A1 (0.55) SRD5A2CA1CA2NPC1RAB9A
Hydrochloric Acid SCHEMBL29173137 0.90 ALDH1A1 (0.53) SRD5A2CA1CA2NPC1RAB9A
SCHEMBL9243055 0.86 SRD5A2 (0.70) SRD5A2LPAR1LPAR5CA1CA2
SCHEMBL28577474 0.84 ACACB (0.53) ACACBACACAFFAR1
SCHEMBL19328239 0.83 SRD5A2 (0.62) SRD5A2LPAR1LPAR5PARP15PARP10
SCHEMBL21752976 0.81 SMN1; SMN2 (0.51) SRD5A2LPAR1LPAR5ACACBACACA
SCHEMBL27934597 0.81 ALDH1A1 (0.48) CA1CA2NPC1RAB9ASMN1; SMN2
SCHEMBL8180842 0.81 RARB (0.59) CA1CA2NPC1RAB9ASMN1; SMN2
SCHEMBL21656831 0.80 RARB (0.73) SRD5A2LPAR1LPAR5ALDH1A1MAPT
SCHEMBL4252326 0.79 SRD5A2 (0.62) SRD5A2LPAR1LPAR5PARP15PARP10

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 6 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