SCHEMBL5010303

SCHEMBL5010303

O=CC1OC=C(Cc2ccccc2)O1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CALM1 P0DP23 1/20 0.37
▸ ADH1B P00325 1/20 0.32
▸ ADH1C P00326 1/20 0.32
▸ ADH1A P07327 1/20 0.32
▸ ADH7 P40394 1/20 0.32
▸ MGLL Q99685 2/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ DAO P14920 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CYP2A6 P11509 1/20 0.30
▸ CTRC Q99895 3/20 0.30
▸ SORT1 Q99523 1/20 0.30
▸ PLA2G10 O15496 1/20 0.30
▸ PLA2G2A P14555 1/20 0.30

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
SCHEMBL29074297 0.74 CALM1 (0.42) CALM1ADH1BADH1CADH1AADH7
SCHEMBL27650349 0.74 — —
SCHEMBL7385803 0.73 CALM1 (0.41) CALM1ALDH1A1LMNA
SCHEMBL2547836 0.72 POLB (0.40) CALM1MGLLALDH1A1LMNAPLA2G10
SCHEMBL27283619 0.72 — —
SCHEMBL27687617 0.72 — —
SCHEMBL17512439 0.71 CALM1 (0.39) CALM1MMP9DAO
SCHEMBL442708 0.70 PLA2G10 (0.42) CALM1ALDH1A1LMNANPSR1PLA2G10
SCHEMBL3034022 0.68 CALM1 (0.35) CALM1MMP9
SCHEMBL27670481 0.67 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537517-B1 Method for the preparation of 2,2-difluorobenzo(1,3)dioxolecarbaldehydes and intermediates BAYER AG (DE) 1997-01-22 — — EP claimed
US-5420308-A 2,2-difluorobenzo (1,3)-dioxole-carbaldehydes and new intermediate products BAYER AKTIENGESELLSCHAFT (DE) 1995-05-30 — — US claimed
US-7351735-B2 Benzofuran and benzothiophene derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-04-01 — — US disclosed
US-20050139814-A1 Benzofuran and benzothiophene derivatives useful in the treatmint of hyper-proliferative disorders BAYER HEALTHCARE LLC 2005-06-30 — — US disclosed
EP-0537517-B1 Method for the preparation of 2,2-difluorobenzo(1,3)dioxolecarbaldehydes and intermediates BAYER AG (DE) 1997-01-22 — — EP disclosed
US-5525739-A Process for the preparation of 2,2-difluorobenzo[1,3]-dioxole-carbaldehydes and new intermediate products BAYER AKTIENGESELLSCHAFT (DE) 1996-06-11 — — US disclosed
US-5525739-A Process for the preparation of 2,2-difluorobenzo[1,3]-dioxole-carbaldehydes and new intermediate products BAYER AKTIENGESELLSCHAFT (DE) 1996-06-11 — — US disclosed
US-5420308-A 2,2-difluorobenzo (1,3)-dioxole-carbaldehydes and new intermediate products BAYER AKTIENGESELLSCHAFT (DE) 1995-05-30 — — US disclosed
US-5420308-A 2,2-difluorobenzo (1,3)-dioxole-carbaldehydes and new intermediate products BAYER AKTIENGESELLSCHAFT (DE) 1995-05-30 — — US disclosed
EP-0537517-A1 Method for the preparation of 2,2-difluorobenzo(1,3)dioxolecarbaldehydes and intermediates BAYER AG (DE) 1993-04-21 — — EP disclosed
EP-0537517-A1 Method for the preparation of 2,2-difluorobenzo(1,3)dioxolecarbaldehydes and intermediates BAYER AG (DE) 1993-04-21 — — EP disclosed
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