SCHEMBL9218019

SCHEMBL9218019

O=C(O)CCc1ccc2c(c1)C(=O)c1ccccc1CO2

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.62
ALDH1A1 P00352 1/20 0.59
MAPT P10636 1/20 0.59
RAB9A P51151 1/20 0.59

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
SCHEMBL11197534 0.94 AKR1B1 (0.60) AKR1B1ALDH1A1MAPTRAB9A
SCHEMBL10998677 0.91 AKR1B1 (0.58) AKR1B1ALDH1A1MAPTRAB9A
SCHEMBL11615502 0.90 AKR1B1 (0.57) AKR1B1ALDH1A1MAPTRAB9A
SCHEMBL11611821 0.90 AKR1B1 (0.57) AKR1B1ALDH1A1MAPTRAB9A
Isoxepac SCHEMBL24970 0.87 AKR1B1 (0.81) AKR1B1ALDH1A1MAPTRAB9A
Isoxepac SCHEMBL29588437 0.87 AKR1B1 (0.81) AKR1B1ALDH1A1MAPTRAB9A
SCHEMBL13696688 0.85 ALDH1A1 (0.58) ALDH1A1MAPTRAB9A
SCHEMBL10373496 0.85 ALDH1A1 (0.63) ALDH1A1MAPTRAB9A
SCHEMBL677820 0.84 ALDH1A1 (0.56) ALDH1A1MAPT
SCHEMBL9218391 0.83 ALDH1A1 (0.60) AKR1B1ALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4082850-A TOPICAL APPLICATION OF A 6,11-DIHYDROBENZ(B,E)OXEPIN-ALKANOIC ACID OR DERIVATIVES THEREOF AMERICAN HOECHST CORPORATION (US) 1978-04-04 US claimed
EP-0419844-B1 N-hydroxy-dibenz[b,e]oxepin-alkylamines and -alkanoic acid amides, related heterocyclic analogues, a process for their preparation and their use in the manufacture of medicaments HOECHST ROUSSEL PHARMA (US) 1995-04-05 EP disclosed
US-5116863-A Antiallergens, antiinflammatory agents; asthma KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-05-26 US disclosed
EP-0419844-A1 N-hydroxy-dibenz[b,e]oxepin-alkylamines and -alkanoic acid amides, related heterocyclic analogues, a process for their preparation and their use in the manufacture of medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-04-03 EP disclosed
US-4751238-A ANALGESICS, ANTIINFLAMMATORY AGENT HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1988-06-14 US disclosed
US-4526891-A Analgesics HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1985-07-02 US disclosed
EP-0119540-A2 Substituted alkylamine derivatives of 6,11-dihydro-11-oxodibenz (b,e)-oxepins, a process for the preparation and intermediates thereof and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1984-09-26 EP disclosed
US-4082850-A TOPICAL APPLICATION OF A 6,11-DIHYDROBENZ(B,E)OXEPIN-ALKANOIC ACID OR DERIVATIVES THEREOF AMERICAN HOECHST CORPORATION (US) 1978-04-04 US disclosed