SCHEMBL7842348

SCHEMBL7842348

Cc1ccc(C(=O)c2ccc3c(c2)OCO3)c(C(=O)O)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.56
ALDH1A1 P00352 4/20 0.54
MAPK1 P28482 1/20 0.54
IGFBP3 P17936 2/20 0.50
KDM4E B2RXH2 3/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
NPC1 O15118 4/20 0.46
MAPT P10636 3/20 0.46
LTC4S Q16873 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 3/20 0.44
CTNNB1 P35222 2/20 0.43
WNT3A P56704 2/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.42
CRHBP P24387 1/20 0.42

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
SCHEMBL7839519 0.86 NPC1 (0.50) SRD5A2ALDH1A1KDM4EPKMHPGD
SCHEMBL7367755 0.78 SRD5A2 (0.57) SRD5A2ALDH1A1MAPK1IGFBP3KDM4E
SCHEMBL13548377 0.76 SRD5A2 (0.71) SRD5A2ALDH1A1MAPK1IGFBP3PKM
SCHEMBL7828877 0.75 SRD5A2 (0.42) SRD5A2ALDH1A1MAPK1IGFBP3KDM4E
SCHEMBL7532873 0.75 SRD5A2 (0.69) SRD5A2ALDH1A1MAPK1PKMNPC1
SCHEMBL15426096 0.74 SRD5A2 (0.55) SRD5A2ALDH1A1MAPK1PKMHPGD
SCHEMBL25180017 0.74 NR4A1 (0.50) SRD5A2ALDH1A1MAPK1KDM4EHPGD
SCHEMBL30442050 0.74 NR4A1 (0.50) SRD5A2ALDH1A1MAPK1KDM4EHPGD
SCHEMBL4824941 0.73 SRD5A2 (0.82) SRD5A2ALDH1A1MAPK1PKMHPGD
SCHEMBL18241737 0.72 MAPT (0.54) SRD5A2ALDH1A1MAPK1IGFBP3HPGD

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
EP-0714897-B1 FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY BANYU PHARMA CO LTD (JP) 2001-02-14 EP disclosed
US-5714479-A TREATMENT OF HYPERTENSION, ACUTE RENAL FAILURE, ANGINA PECTORIS, ARTERIOSCLEROSIS, ASTHMA, GASTRIC ULCER AND SIMILAR AILMENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-03 US disclosed
EP-0714897-A1 FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-06-05 EP disclosed