SCHEMBL6727690

SCHEMBL6727690

[O]CC(=O)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.53
ELANE P08246 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALOX15 P16050 2/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
RAD51 Q06609 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL1762271 0.84 CYP19A1 (0.52) CYP19A1ELANETDP1ATML3MBTL1
SCHEMBL153387 0.83 CYP19A1 (0.55) CYP19A1ELANETDP1ATML3MBTL1
SCHEMBL43742 0.83 KMT2A (0.61) CYP19A1ELANETDP1ATML3MBTL1
SCHEMBL15064174 0.82 PRSS1 (0.51) CYP19A1ELANETDP1ATML3MBTL1
SCHEMBL27809607 0.82 CYP19A1 (0.50) CYP19A1ELANETDP1ATML3MBTL1
SCHEMBL231450 0.81 CYP19A1 (0.53) CYP19A1ELANETDP1ATML3MBTL1
SCHEMBL2052989 0.81 CYP19A1 (0.53) CYP19A1ELANETDP1ATML3MBTL1
SCHEMBL11495143 0.81 CYP19A1 (0.53) CYP19A1ELANETDP1ATML3MBTL1
SCHEMBL593272 0.81 CYP19A1 (0.58) CYP19A1ELANETDP1ATML3MBTL1
SCHEMBL2141580 0.81 CYP19A1 (0.53) CYP19A1ELANETDP1ATML3MBTL1

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-6677473-B1 TREATMENT, PREVENTION OR AMELIORATION OF ONE OR MORE SYMPTOMS OF THROMBOTIC DISORDERS, UNSTABLE ANGINA OR CANCER CORVAS INTERNATIONAL INC 2004-01-13 US claimed
WO-2001036351-A2 PLASMINOGEN ACTIVATOR INHIBITOR ANTAGONISTS RELATED APPLICATIONS CORVAS INTERNATIONAL, INC. (US) 2001-05-25 WO claimed
US-6677473-B1 TREATMENT, PREVENTION OR AMELIORATION OF ONE OR MORE SYMPTOMS OF THROMBOTIC DISORDERS, UNSTABLE ANGINA OR CANCER CORVAS INTERNATIONAL INC 2004-01-13 US disclosed
WO-2001036351-A2 PLASMINOGEN ACTIVATOR INHIBITOR ANTAGONISTS RELATED APPLICATIONS CORVAS INTERNATIONAL, INC. (US) 2001-05-25 WO disclosed
US-4052212-A ETHER-ESTER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JA) 1977-10-04 US disclosed