SCHEMBL11049014

SCHEMBL11049014

Cc1ccc(C2Oc3ccccc3CC2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.49
TSHR P16473 1/20 0.45
CYP19A1 P11511 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
F10 P00742 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOA P21397 1/20 0.36

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
SCHEMBL19746 0.87 CYP19A1 (0.45) MAOBCYP19A1ALDH1A1KMT2AMAOA
Methane SCHEMBL27973705 0.85 CYP19A1 (0.44) MAOBCYP19A1ALDH1A1KMT2AMAOA
SCHEMBL11733122 0.85 CYP19A1 (0.44) MAOBCYP19A1ALDH1A1KMT2AMAOA
Methoxymethane SCHEMBL27610365 0.84 KDM4E (0.42) MAOBCYP19A1ALDH1A1LMNAKMT2A
SCHEMBL10381296 0.84 POLB (0.42) MAOBALDH1A1LMNAF10MEN1
SCHEMBL2283832 0.84 CYP3A4 (0.49) MAOBCYP19A1MEN1KMT2AMAOA
SCHEMBL2474551 0.84 MAOB (0.49) MAOBCYP19A1MAOA
SCHEMBL11245736 0.84 CYP19A1 (0.46) MAOBTSHRCYP19A1ALDH1A1MEN1
SCHEMBL11259686 0.84 ESR1 (0.40) MAOBTSHRALDH1A1MAOA
SCHEMBL127705 0.84 MAPT (0.52) MAOBTSHRCYP19A1LMNAF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4461907-A Amino-substituted flavans useful as anti-viral agents BURROUGHS WELLCOME CO. 1984-07-24 US disclosed
EP-0004579-B1 FLAVANS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1982-08-18 EP disclosed
EP-0025161-B1 3-METHYLENE FLAVANONES AND 3-METHYLENE CHROMANONES, ANTIMICROBIAL COMPOSITION CONTAINING SAME AND METHOD OF INHIBITING THE GROWTH OF MICROORGANISMS MILES LABORATORIES, INC. (US) 1982-06-09 EP disclosed
EP-0051061-A2 Novel intermediates and process for their preparation THE WELLCOME FOUNDATION LIMITED (GB) 1982-05-05 EP disclosed
EP-0025161-A1 3-Methylene flavanones and 3-methylene chromanones, antimicrobial composition containing same and method of inhibiting the growth of microorganisms MILES LABORATORIES, INC. (US) 1981-03-18 EP disclosed
US-4241069-A MICROBIOCIDES MILES LABORATORIES, INC. (US) 1980-12-23 US disclosed
EP-0004579-A1 Flavans, process for their preparation and pharmaceutical compositions containing them THE WELLCOME FOUNDATION LIMITED (GB) 1979-10-17 EP disclosed