SCHEMBL9637065

SCHEMBL9637065

O=C(CO)c1cccc(OC2CCCCO2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.45
HPGD P15428 2/20 0.42
PDE4B Q07343 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.40
HSD11B1 P28845 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
KCNH2 Q12809 2/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL17700609 0.86 HPGD (0.45) DHFRHPGDPDE4BMEN1KMT2A
SCHEMBL3058714 0.84 ALDH1A1 (0.46) DHFRHPGDMEN1KMT2ARAB9A
SCHEMBL4827698 0.84 KMT2A (0.48) DHFRHPGDMEN1KMT2ARAB9A
SCHEMBL6210554 0.84 MEN1 (0.51) DHFRHPGDPDE4BMEN1KMT2A
SCHEMBL5727243 0.83 PKM (0.46) DHFRMEN1KMT2ARAB9APKM
SCHEMBL11769348 0.82 HDAC6 (0.45) DHFRHPGDMEN1KMT2APKM
SCHEMBL25621200 0.82 HPGD (0.47) DHFRHPGDRAB9ASMN1; SMN2PKM
SCHEMBL3237592 0.81 ALDH1A1 (0.47) DHFRHPGDMEN1KMT2ARAB9A
SCHEMBL10830967 0.81 DHFR (0.49) DHFRMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL3184997 0.80 DHFR (0.53) DHFRPDE4BMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5082849-A Antiinflammatory agents or antiallergens AVENTIS PHARMACEUTICALS INC. 1992-01-21 US disclosed
EP-0434827-A4 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1992-01-08 EP disclosed
EP-0434827-A1 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? RORER INTERNATIONAL (HOLDINGS), INC. (US) 1991-07-03 EP disclosed
WO-1991001123-A2 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-02-07 WO disclosed
US-4977162-A Quinolinyl-chromone derivatives and use for treatment of hypersensitive ailments RORER PHARMACEUTICAL CORPORATION (US) 1990-12-11 US disclosed