SCHEMBL7325934

SCHEMBL7325934

COCCCCCCCSc1ccc(N2CCN(c3ccc(C(=O)O)cc3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
LMNA P02545 2/20 0.44
PLA2G4B P0C869 2/20 0.44
PLA2G4A P47712 1/20 0.44
MCL1 Q07820 1/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLA2G2A P14555 1/20 0.42
PLK1 P53350 4/20 0.41
GFER P55789 1/20 0.41
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
ENPP2 Q13822 1/20 0.40
CHEK1 O14757 1/20 0.40

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
SCHEMBL6132901 0.83 USP2 (0.50) USP2LMNAMAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6132467 0.82 TSHR (0.57) LMNAPLA2G4BPLA2G4AMAPTALDH1A1
Hydrochloric Acid SCHEMBL7331330 0.82 TSHR (0.57) LMNAPLA2G4BPLA2G4AMAPTALDH1A1
SCHEMBL6134389 0.79 DRD3 (0.51) KMT2AMEN1CHEK1DRD2HTR2A
Hydrochloric Acid SCHEMBL6132276 0.77 HTR1A (0.47) USP2MCL1KDM4ENPC1RAB9A
SCHEMBL1018873 0.76 CA1 (0.47) PLA2G4BPLA2G4AALDH1A1KDM4ENPC1
SCHEMBL1306056 0.76 MEN1 (0.56) USP2MAPTALDH1A1KDM4EKMT2A
SCHEMBL5787020 0.75 MEN1 (0.54) USP2LMNAMAPTALDH1A1KDM4E
SCHEMBL22438945 0.73 THRA (0.62) PLA2G4BPLA2G4AMAPTALDH1A1KMT2A
SCHEMBL7829330 0.73 THRA (0.62) PLA2G4BPLA2G4AMAPTALDH1A1KMT2A

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
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed
EP-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO disclosed