SCHEMBL6982011

SCHEMBL6982011

[CH2]C(OC)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.46
LTA4H P09960 2/20 0.39
TSHR P16473 3/20 0.38
KDM4E B2RXH2 1/20 0.36
SLC6A4 P31645 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL6049880 0.85 LTA4H (0.45) CA4LTA4HTSHRKDM4ESLC6A4
SCHEMBL10769438 0.76 LTA4H (0.38) CA4LTA4HTSHRKDM4ESLC6A4
SCHEMBL2478675 0.76 LTA4H (0.41) CA4LTA4HTSHRKDM4ESLC6A4
SCHEMBL329043 0.75 CA4 (0.43) CA4LTA4HTSHRKDM4ESLC6A4
SCHEMBL2356964 0.75 CA4 (0.50) CA4LTA4HTSHRKDM4ESLC6A4
SCHEMBL3906412 0.75 CA4 (0.50) CA4LTA4HTSHRKDM4ESLC6A4
SCHEMBL8145320 0.74 LTA4H (0.45) CA4LTA4HTSHRKDM4ESLC6A4
SCHEMBL28167529 0.73 ALDH1A1 (0.45) CA4SLC6A4CYP1A2GAACYP2C9
SCHEMBL157054 0.73 MTNR1A (0.45) MTNR1AMTNR1BLMNACYP1A2GAA
SCHEMBL8893661 0.71 CA4 (0.46) CA4LTA4HTSHRKDM4ESLC6A4

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
EP-1220844-B1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2003-04-09 EP claimed
EP-1220844-A1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-07-10 EP claimed
US-6365584-B1 FOR PROPHYLAXIS AND THERAPY OF INFLAMMATORY AND/OR ALLERGIC DISEASES, LUNG FIBROSIS, FIBROSING ALVEOLITIS AND SCARRING, COLLAGENOSES SUCH AS LUPUS ERYTHEMATODES AND SCLERODERMIA AS WELL AS ARTERIOSCLEROSIS, PSORIASIS AND NEOPLASM BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-04-02 US claimed
WO-2001023360-A1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-05 WO claimed
EP-1220844-B1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2003-04-09 EP disclosed
EP-1220844-A1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-07-10 EP disclosed
US-6365584-B1 FOR PROPHYLAXIS AND THERAPY OF INFLAMMATORY AND/OR ALLERGIC DISEASES, LUNG FIBROSIS, FIBROSING ALVEOLITIS AND SCARRING, COLLAGENOSES SUCH AS LUPUS ERYTHEMATODES AND SCLERODERMIA AS WELL AS ARTERIOSCLEROSIS, PSORIASIS AND NEOPLASM BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-04-02 US disclosed
WO-2001023360-A1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-05 WO disclosed